CFam Chemical Families Database
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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

CFam Family Information

CFAM Family ID CFFID4197
Family Name Choline kinase alpha Inhibitor Bisquinolinium Derivative Family
No. of Seeds 10 No. of Other Members 7
Family Centroid CFAMM00304018 Functional Category Investigative Drug
Superfamily Cholinesterase and Acetylcholinesterase Binder Superfamily 3
Class Class 825

Cousin Family NamesSeedsMembers
5-hydroxytryptamine receptor 1B ligand triptan Almotriptan Family 8 438
5-hydroxytryptamine receptor 2C ligand Tetracyclic antidepress... 14 498
5-hydroxytryptamine receptor 1B and 5-hydroxytryptamine recept... 14 2769
D(2) dopamine receptor and D(1A) dopamine receptor ligand ergo... 12 720
5-hydroxytryptamine receptor 1B and 5-hydroxytryptamine recept... 4 171
Glutamate dehydrogenase inhibitor quinoline derivative Chloroq... 7 189
Nicotinic acetylcholine receptor Ligand Nicotine Family 14 686
D(1A) dopamine receptor ligand ergot alkaloid Methylergonovine... 22 170
Neuronal acetylcholine receptor subunit alpha-4 Ligand Varenic... 3 54
Histamine H1 receptor ligand tricyclic antidepressant Deslorat... 6 136
Acetylcholinesterase Inhibitor Tacrine Family 12 515
D(2) dopamine receptor Ligand Sertindole Family 3 173
Histamine H1 receptor Ligand Pheniramine Family 10 380
Histamine H1 receptor Ligand Triprolidine Family 19 316
Enoyl-[acyl-carrier-protein] reductase [NADH] Inhibitor Ethion... 5 68
Sarcoplasmic/endoplasmic reticulum calcium ATPase inhibitor qu... 2 60
Prothrombin Inhibitor Ximelegatran Family 8 157
G protein-activated inward rectifier potassium channel 4 Ligan... 3 48
Transient receptor potential cation channel subfamily V member... 15 158
C-X-C chemokine receptor type 4 Ligand AMD-070 Family 12 800
Transient receptor potential cation channel subfamily V member... 16 295
Transient receptor potential cation channel subfamily V member... 15 457
Neuromedin-K receptor Ligand SB222200 Family 17 235
Fibroblast growth factor receptor 2 and Fibroblast growth fact... 11 86
Glucagon receptor Ligand Dwlip-gcgrrx Family 5 26
Mitogen-activated protein kinase 14 Inhibitor Losmapimod Family 5 154
Potassium voltage-gated channel subfamily KQT member 1 Ligand ... 13 242
Glutamate receptor AMPA subtype Ligand CX-516 Family 9 24
Reverse transcriptase Inhibitor Dapivirine Family 5 72
Gamma-aminobutyric acid receptor Ligand E-2007 Family 7 118
D(1B) dopamine receptor Ligand LE-300 Family 65 452
5-hydroxytryptamine receptor 1A and D(2) dopamine receptor Lig... 14 234
D(3) dopamine receptor Ligand SB-277011 Family 13 178
Aurora kinase B and Aurora kinase C Inhibitor GSK1070916 Family 53 580
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subun... 35 270
Genomic RNA for RNA-dependent RNA polymerase gene (clone HCV-J... 13 55
Amg 423 family 7 47
E7820 family 9 56
C-C chemokine receptor type 3 Ligand YM-344031 Family 19 106
5-hydroxytryptamine receptor 2A Ligand RP-68303 Family 7 44
cAMP-specific 3',5'-cyclic phosphodiesterase 4A and cAMP-speci... 8 55
Corticotropin-releasing factor receptor 1 Ligand CP-154526 Family 9 29
cGMP-dependent 3',5'-cyclic phosphodiesterase Inhibitor CP-461... 4 34
Nicotinic acetylcholine receptor Ligand Epibatidine Family 36 19
D(4) dopamine receptor Ligand Fauc 113 Family 14 96
5-hydroxytryptamine receptor 2A and 5-hydroxytryptamine recept... 6 17
Cannabinoid receptor 2 Ligand JWH-167 Family 25 168
D(4) dopamine receptor Ligand L-745,870 Family 30 205
Corticotropin-releasing factor receptor 1 Ligand R121919 Family 26 84
5-hydroxytryptamine receptor 2B Ligand Sb 206553 Family 14 21
Gp29 Inhibitor Tmpyp4 Family 1 3
Lethal factor Inhibitor N,n'-bis(4-amino-2-methylquinolin-6-yl... 2 11
Beta-secretase 1 Inhibitor 6-[2-(1h-indol-6-yl)ethyl]pyridin-2... 10 43
Beta-secretase 1 Inhibitor N~3~-(3-pyridin-3-ylbenzyl)pyridine... 31 66
TGF-beta receptor type-1 Ligand 4-(3-pyridin-2-yl-1h-pyrazol-4... 3 63
TGF-beta receptor type-1 Ligand Naphthyridine Inhibitor Family 3 6
D(2) dopamine receptor and D(3) dopamine receptor Ligand 4-(4-... 3 15
D(2) dopamine receptor and D(3) dopamine receptor Ligand 4-(4-... 6 48
5-hydroxytryptamine receptor 1A and 5-hydroxytryptamine recept... 4 32
Steroid 17-alpha-hydroxylase/17,20 lyase and Aromatase Inhibit... 18 109
Vascular endothelial growth factor receptor 1 and Vascular end... 6 23
Platelet-derived growth factor receptor alpha and Platelet-der... 5 48
Histone deacetylase 1 and Histone deacetylase 2 Inhibitor Cycl... 1 0
Epidermal growth factor receptor Ligand PD-158780 Family 98 89
Potassium voltage-gated channel subfamily H member 2 Ligand 5-... 5 14
Cyclin-dependent kinase 4 Inhibitor 1-pyridin-2-yl-3-quinolin-... 2 5
5-hydroxytryptamine receptor 2A Ligand 8-chloro-1,2,3,4-tetrah... 5 4
cAMP-specific 3',5'-cyclic phosphodiesterase 4A Inhibitor 8-(3... 4 19
cAMP-specific 3',5'-cyclic phosphodiesterase 4A Inhibitor 8-(3... 4 22
Scytalone dehydratase Inhibitor Isoquinolin-1-yl-(3-phenyl-pro... 4 9
Epidermal growth factor receptor Ligand Benzo[g]quinazolin-4-y... 5 3
Metabotropic glutamate receptor 5 Ligand 3-(4-pyridin-2-yl-imi... 6 5
cGMP-inhibited 3',5'-cyclic phosphodiesterase A and Cytochrome... 9 40
Cyclin-dependent kinase 1 Inhibitor CGP-60474 Family 14 103
5-hydroxytryptamine receptor 6 Ligand E-6837 Family 22 44
Cytochrome P450 11B1, mitochondrial and Aromatase Inhibitor 3-... 2 11
Histone deacetylase 6 Inhibitor N-(quinolin-3-yl)-6-(sulfamoyl... 4 8
Histamine H3 receptor Ligand 2-(4-isopropyl-piperazin-1-yl)-qu... 17 29
Metabotropic glutamate receptor 5 Ligand 3-(3-pyridin-2-yl-pyr... 4 24
Acetylcholinesterase and Cholinesterase Inhibitor Lipocrine Fa... 18 36
Acetylcholinesterase and Cholinesterase Inhibitor Huprine-tacr... 43 17
Cytochrome P450 11B1, mitochondrial and Aromatase Inhibitor 3-... 14 22
Metabotropic glutamate receptor 5 Ligand 2-m-tolyl-1,8-naphthy... 7 11
5-hydroxytryptamine receptor 6 Ligand 4-(4,6-dinitro-1h-indol-... 4 19
5-hydroxytryptamine receptor 6 Ligand 4-(1h-indol-1-ylsulfonyl... 7 79
DNA-dependent protein kinase catalytic subunit Inhibitor 2-mor... 2 6
Metabotropic glutamate receptor 5 Ligand 2-methyl-6-(4-phenylb... 6 32
5-hydroxytryptamine receptor 2A and 5-hydroxytryptamine recept... 3 2
Neuronal acetylcholine receptor subunit alpha-4 and Neuronal a... 13 26
Inosine-5'-monophosphate dehydrogenase 2 Inhibitor 1-methyl-1h... 6 24
Inosine-5'-monophosphate dehydrogenase 2 Inhibitor 1-(3-cyano-... 2 4
D(2) dopamine receptor and D(3) dopamine receptor Ligand 1-(4-... 10 48
Adenosine receptor A3 Ligand 1-(2-(diethylamino)quinazolin-4-y... 2 9
Mitogen-activated protein kinase 14 and Tyrosine-protein kinas... 3 9
Transient receptor potential cation channel subfamily V member... 6 23
D(4) dopamine receptor Ligand ABT-670 Family 4 14
Adenosine receptor A1 and Adenosine receptor A2a Ligand 2-phen... 8 11
Trypsin Inhibitor 1-benzyl-1h-indole-5-carboxamidine Family 4 3
Cholinesterase Inhibitor 9-[9-(beta-carboline-9-yl)nonyl]-beta... 7 7
Macrophage migration inhibitory factor Inhibitor 4-iodo-6-phen... 5 4
Oestrogen receptor Ligand 4-benzyl-2,6-diisobutylamino-pyrimid... 5 37
Histamine H4 receptor Ligand A-943931 Family 14 11
Carbonic anhydrase 2 and Carbonic anhydrase 9 Inhibitor Quinol... 4 13
RAF proto-oncogene serine/threonine-protein kinase Inhibitor L... 219 124
5-hydroxytryptamine receptor 6 Ligand 6-tosyl-1,2,3,4,5,6-hexa... 4 22
Poly [ADP-ribose] polymerase 1 Inhibitor 3-ethenylquinoline-8-... 8 4
Steroid 17-alpha-hydroxylase/17,20 lyase and Cytochrome P450 1... 2 4
Glycogen synthase kinase-3 beta Inhibitor 4-(5-bromo-1h-indol-... 7 18
Hepatocyte growth factor receptor Ligand 1-benzyl-1h-pyrrolo[3... 2 16
Bifunctional epoxide hydrolase 2 Inhibitor N-(3,3-diphenyl-pro... 6 14
Indoleamine 2,3-dioxygenase 1 Inhibitor 4-(1h-1,2,3-triazol-5-... 3 12
Protein kinase C theta type Inhibitor 4-(3h-indol-4-ylamino)-5... 2 2
Kappa-type opioid receptor and Mu-type opioid receptor Ligand ... 19 108
Acetylcholinesterase and Cholinesterase Inhibitor 1,9-bis(pyri... 8 38
Urotensin-2 receptor Ligand Palosuran Family 4 4
Kinesin-like protein KIF11 Inhibitor 2-(trifluoromethyl)-9h-ca... 5 0
Steroid 17-alpha-hydroxylase/17,20 lyase and Cytochrome P450 1... 2 4
Sodium-dependent serotonin transporter Inhibitor 3-(3-aminocyc... 94 23
Ribosyldihydronicotinamide dehydrogenase [quinone] Inhibitor N... 6 10
Ribosyldihydronicotinamide dehydrogenase [quinone] Inhibitor N... 1 3
Gamma-aminobutyric acid receptor subunit alpha-1 Ligand N-(9h-... 5 2
Cytochrome P450 11B1, mitochondrial Inhibitor 2-methyl-1,2-di-... 8 15
5-hydroxytryptamine receptor 2A and Amine oxidase [flavin-cont... 10 18
Translocator protein Inhibitor 5-phenyl-6-thia-10b-aza-benzo[e... 1 2
Gamma-aminobutyric acid receptor subunit alpha-1 Ligand 3-chlo... 3 2
Sodium channel protein type 1 subunit alpha and Sodium channel... 10 14
Glutamate receptor 1 Ligand Piriqualone Family 8 67
Amine oxidase [flavin-containing] A and Amine oxidase [flavin-... 4 6
Metabotropic glutamate receptor 5 Ligand 5-(2-methylquinolin-7... 4 3
Metabotropic glutamate receptor 5 Ligand 3-fluoro-5-(2-methylq... 3 2
Metabotropic glutamate receptor 5 Ligand 7-m-tolyl-1,6-naphthy... 4 2
Metabotropic glutamate receptor 5 Ligand 3-m-tolyl-1,5-naphthy... 6 10
Metabotropic glutamate receptor 1 Ligand N-(2-phenylpropyl)qui... 3 1
Vasopressin V2 receptor Ligand YM-35278 Family 33 38
Amine oxidase [flavin-containing] A and Amine oxidase [flavin-... 1 0
Metabotropic glutamate receptor 1 Ligand (e)-4,4-dimethyl-1-qu... 2 2
Prostaglandin G/H synthase 2 Inhibitor 2-(4-(methylsulfonyl)ph... 7 33
Acetylcholinesterase Inhibitor Infractopicrin Family 1 1
Metabotropic glutamate receptor 5 Ligand 5-((6-methylpyridin-2... 14 22
Acetylcholinesterase Inhibitor N-benzyl-2-morpholinopyrimidin-... 6 16
Histone deacetylase Inhibitor ST-5732 Family 8 6
Protein kinase C alpha type Inhibitor Dequalinium Analogue Family 1 10
Acetylcholinesterase and Cholinesterase Inhibitor Huprine-tacr... 62 27
Choline kinase alpha Inhibitor Bisquinolinium Derivative Family 2 1 2
Protein kinase C theta type and Protein kinase C delta type in... 7 17
Bifunctional epoxide hydrolase 2 and Cytochrome P450 3A4 inhib... 1 13
Neuronal acetylcholine receptor subunit alpha-7 and Potassium ... 7 3
Protein kinase C theta type and Protein kinase C delta type in... 16 8
Histamine H3 receptor and Potassium voltage-gated channel subf... 3 3
Histamine H3 receptor and Potassium voltage-gated channel subf... 6 14
Histamine H3 receptor and Potassium voltage-gated channel subf... 1 2
Histamine H3 receptor and Potassium voltage-gated channel subf... 1 3
5-hydroxytryptamine receptor 1A and D(1A) dopamine receptor li... 2 3
Epidermal growth factor receptor ligand AGN-PC-07Q1HU family 4 17
Tyrosine-protein kinase JAK2 and Tyrosine-protein kinase JAK1 ... 2 4
5-hydroxytryptamine receptor 6 ligand CHEMBL1950756 family 8 8
5-hydroxytryptamine receptor 6 and 5-hydroxytryptamine recepto... 1 11
Corticotropin-releasing factor receptor 1 ligand AGN-PC-074YYL... 1 3
Corticotropin-releasing factor receptor 1 ligand N-(cyclopropy... 2 2
Acetylcholinesterase and Cholinesterase inhibitor 3,8-DIAMINO-... 2 3
Progesterone receptor and Androgen receptor ligand 5-[4-[(Z)-C... 2 5
Polycystin-2 and Serine/threonine-protein kinase D1 inhibitor ... 4 12
5-hydroxytryptamine receptor 2C and 5-hydroxytryptamine recept... 11 20
Serine/threonine-protein kinase mTOR and DNA-dependent protein... 6 7
Alpha-1A adrenergic receptor and Alpha-1B adrenergic receptor ... 3 1
D(2) dopamine receptor and 5-hydroxytryptamine receptor 2C lig... 2 3
5-hydroxytryptamine receptor 2C and 5-hydroxytryptamine recept... 1 2
5-hydroxytryptamine receptor 1A and 5-hydroxytryptamine recept... 13 1
Melanin-concentrating hormone receptor 1 ligand AGN-PC-09M6QF ... 3 0
3-oxo-5-alpha-steroid 4-dehydrogenase 1 and 3-oxo-5-alpha-ster... 1 1
Prostaglandin G/H synthase 2 and Prostaglandin G/H synthase 1 ... 4 0
Prelamin-A/C and Survival motor neuron protein inhibitor CHEMB... 1 0
5-hydroxytryptamine receptor 2C and 5-hydroxytryptamine recept... 3 8
Dihydrofolate reductase inhibitor 6-[[(4-chloronaphthalen-1-yl... 2 1
Mitogen-activated protein kinase 13 and Mitogen-activated prot... 5 0
5-hydroxytryptamine receptor 2A and 5-hydroxytryptamine recept... 2 1
5-hydroxytryptamine receptor 1D and 5-hydroxytryptamine recept... 5 1
5-hydroxytryptamine receptor 1D and 5-hydroxytryptamine recept... 2 0
Glucocorticoid receptor and Mineralocorticoid receptor ligand ... 9 3
Substance-K receptor and Cytochrome P450 2D6 ligand 158848-32-... 4 4
Dipeptidyl peptidase 4 inhibitor AGN-PC-09QKOM family 5 8
Progesterone receptor and Mineralocorticoid receptor ligand AG... 6 1
Kappa-type opioid receptor and Mu-type opioid receptor ligand ... 2 0
Gamma-aminobutyric acid receptor subunit alpha-1 and Gamma-ami... 1 0
Mitogen-activated protein kinase 14 inhibitor 4-(2-chloro-4-fl... 6 7
Amine oxidase [flavin-containing] B and Amine oxidase [flavin-... 1 1
Serine/threonine-protein kinase mTOR and Phosphatidylinositol ... 6 2
Serine/threonine-protein kinase mTOR and Phosphatidylinositol ... 3 2
Hepatocyte growth factor receptor ligand AGN-PC-08XYH0 family 8 4
Hepatocyte growth factor receptor ligand AGN-PC-08XYH3 family 1 0
Hepatocyte growth factor receptor ligand AGN-PC-09M1N4 family 2 0
Sigma non-opioid intracellular receptor 1 ligand SureCN7434677... 1 0
Metabotropic glutamate receptor 5 ligand AGN-PC-075GBZ family 2 5
Sodium-dependent serotonin transporter and 5-hydroxytryptamine... 5 0
CGMP-dependent protein kinase inhibitor AGN-PC-075XII family 25 7
Serine/threonine-protein kinase pim-2 and Serine/threonine-pro... 9 2
Mitogen-activated protein kinase 14 inhibitor 4-(2-chloropheny... 4 0
C-C chemokine receptor type 3 ligand 1-[(1R,2S)-2-[[3-[(4-fluo... 3 2
CGMP-dependent protein kinase inhibitor AGN-PC-075XJ0 family 9 1
Macrophage colony-stimulating factor 1 receptor and Vascular e... 2 3
Neuronal acetylcholine receptor subunit alpha-4 and Neuronal a... 3 0
Glucocorticoid receptor ligand 1,1,1-trifluoro-2-[(1-methyl-3,... 3 4
Melanin-concentrating hormone receptor 1 and Melanin-concentra... 3 1
Transient receptor potential cation channel subfamily V member... 4 0
Melanin-concentrating hormone receptor 1 and 5-hydroxytryptami... 2 0
Egl nine homolog 1 inhibitor 1'-[(3-methylpyridin-2-yl)methyl]... 6 4
Neuronal acetylcholine receptor subunit alpha-4 and Neuronal a... 2 0
D(4) dopamine receptor and 5-hydroxytryptamine receptor 1A lig... 2 1
Prostaglandin D2 receptor 2 ligand SureCN317401 family 3 8
Alpha-2C adrenergic receptor and Alpha-2A adrenergic receptor ... 5 8
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subun... 2 4
Beta-secretase 1 and Potassium voltage-gated channel subfamily... 3 4
Neuronal acetylcholine receptor subunit beta-2 and Neuronal ac... 8 0
Mitogen-activated protein kinase 13 and Mitogen-activated prot... 3 2
Alpha-1A adrenergic receptor and D(2) dopamine receptor ligand... 1 0
Fatty-acid amide hydrolase 1 inhibitor 1-[3-[4-(6-phenylhexyl)... 1 0
Neuronal acetylcholine receptor subunit alpha-6 ligand AGN-PC-... 2 0
D(4) dopamine receptor and D(3) dopamine receptor ligand SureC... 3 0
G-protein coupled bile acid receptor 1 ligand 1-[4-[(1R,3E)-1-... 1 1
CGMP-dependent protein kinase inhibitor methyl 2-[[4-[5-(4-flu... 6 1
Glucocorticoid receptor ligand 1-[(4aS)-6-(4-tert-butylphenyl)... 27 3
Glucocorticoid receptor ligand 6-benzyl-1-(4-fluorophenyl)-4a-... 2 0
CGMP-dependent protein kinase inhibitor 1-[4-acetyl-3-[[4-[5-(... 2 0
Platelet-activating factor receptor ligand SureCN9853140 family 3 3
Alpha-1B adrenergic receptor and Alpha-1D adrenergic receptor ... 3 0
Androgen receptor ligand SureCN7034488 family 1 13
Telomerase reverse transcriptase inhibitor N-[9-(4-aminoanilin... 1 11
5-hydroxytryptamine receptor 1D ligand AGN-PC-01NTBS family 1 1
5-hydroxytryptamine receptor 3E and 5-hydroxytryptamine recept... 1 1
Cannabinoid receptor 2 and Cannabinoid receptor 1 ligand 4-[6-... 3 3
CGMP-dependent protein kinase inhibitor AGN-PC-075INU family 1 1
Protein kinase C theta type and Protein kinase C delta type in... 4 5
Sigma non-opioid intracellular receptor 1 ligand 1-phenyl-4-(2... 1 0
CGMP-dependent protein kinase inhibitor 2-[[4-[5-(4-fluorophen... 1 0
Progesterone receptor ligand AGN-PC-074LWG family 1 1
Neuronal acetylcholine receptor subunit alpha-6 ligand AGN-PC-... 1 0
Neuropeptide Y receptor type 5 ligand 1-methylsulfonyl-N-(4-py... 9 0
Serine/threonine-protein kinase B-raf and Mitogen-activated pr... 16 5
CGMP-dependent protein kinase inhibitor AGN-PC-078XQ0 family 1 1
Thromboxane-A synthase inhibitor AGN-PC-07BYVF family 1 0
Thymidylate synthase inhibitor AGN-PC-00EUGY family 2 7
Sodium-dependent noradrenaline transporter and Sodium-dependen... 5 7
Cannabinoid receptor 1 ligand AGN-PC-07R6NY family 2 0
Glutamate receptor ionotropic, NMDA 1 and Glutamate receptor i... 1 2
Transient receptor potential cation channel subfamily V member... 1 0
Histamine H3 receptor ligand AGN-PC-09M6FC family 1 9
Corticotropin-releasing factor receptor 1 ligand 5-N,5-N-bis(c... 2 0
Tyrosyl-DNA phosphodiesterase 1 and Inositol monophosphatase 1... 1 3
Hexokinase and Farnesyl pyrophosphate synthase inhibitor AC1NQ... 1 0
Potassium voltage-gated channel subfamily A member 5 and Inter... 2 0
Potassium voltage-gated channel subfamily H member 2 ligand 1-... 1 0
Telomerase reverse transcriptase inhibitor CHEMBL2425366 family 1 0
Cytochrome P450 3A4 inhibitor N-[2-fluoro-4-(4-fluorophenyl)ph... 2 1
Kinesin-like protein KIF11 inhibitor AGN-PC-077SFB family 1 0
NP 3-((1-(3-(2-(pyridin-3-yl)piperidin-1-yl)prop-1-yn-1-yl)cyc... 12 0
Putative NP ZINC38570085 Family 14 0


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00304011 CHEMBL185463 Bioactive CHEBI:291832
CFAMM00304004 CHEMBL1743956 Bioactive 8-fluoro-5-(4-fluorophenyl)-2-(4-quinolin-4-ylbutyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
CFAMM00304009 CHEMBL184300 Bioactive AGN-PC-075EV5
CFAMM00304028 CHEMBL185146 Bioactive AGN-PC-075ETG
CFAMM00304008 CHEMBL117908 Bioactive UCL 1684
CFAMM00304027 CHEMBL420873 Bioactive CHEBI:291832
CFAMM00304026 CHEMBL45193 Bioactive UCL-1684

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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