CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
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 CFFBM7422
Family Name Substance-K receptor ligand N-[1-[[(2R)-5-[4-(oxan-4-ylmethyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]isoquinoline-3-carboxamide family
No. of Seeds 2 No. of Other Members 0
Family Centroid CFAMM00379929 Functional Category Bioactive
Superfamily CP-18770 Superfamily
Class Class 295

Cousin Family NamesSeedsMembers
5-hydroxytryptamine receptor 1B and 5-hydroxytryptamine recept... 14 2769
HIV protease Inhibitor Indinavir Family 36 211
HIV protease Inhibitor Saquinavir Family 64 428
5-hydroxytryptamine receptor 3A Ligand Granisetron Family 26 212
Cytochrome P450 11B1, mitochondrial Inhibitor Metyrapone Family 9 243
Sodium channel protein type 5 subunit alpha Ligand Disopyramid... 4 352
HIV-1 protease Inhibitor Atazanavir Family 16 58
Histamine H1 receptor Ligand Triprolidine Family 19 316
26S proteasome Inhibitor Bortezomib Family 7 65
SUR2-type K(ATP) channel Ligand Nicorandil Family 5 85
Prothrombin Inhibitor Ximelegatran Family 8 157
Hepatocyte growth factor receptor Ligand Arq 197 Family 10 400
Glycogen synthase kinase-3 beta and Protein kinase C beta type... 5 53
Histone deacetylase 1 Inhibitor MS-275 Family 4 41
Glycogen phosphorylase, muscle form Inhibitor PSN357 Family 3 253
Neuromedin-K receptor Ligand SB222200 Family 17 235
Cholecystokinin receptor type A Ligand Tarazepide Family 6 323
Poly [ADP-ribose] polymerase 1 Inhibitor AG-14699 Family 13 179
Mitogen-activated protein kinase 14 Inhibitor Losmapimod Family 5 154
Coagulation factor X Inhibitor Otamixaban Family 9 21
Glutamate receptor AMPA subtype Ligand CX-516 Family 9 24
Gamma-aminobutyric acid receptor Ligand E-2007 Family 7 118
Growth hormone receptor Ligand EP-51216 Family 34 390
D(3) dopamine receptor Ligand SB-277011 Family 13 178
Substance-P receptor Ligand TAK-637 Family 18 63
Amg 423 family 7 47
ABC294640 family 5 75
CP-18770 family 6 27
JAK Inhibitor Momelotinib Family 33 83
C-C chemokine receptor type 3 Ligand YM-344031 Family 19 106
Lethal factor Inhibitor GM6001 Family 50 435
XL-888 family 16 85
cGMP-dependent 3',5'-cyclic phosphodiesterase Inhibitor CP-461... 4 34
Gamma-aminobutyric acid receptor subunit alpha-1 Ligand 1-(9h-... 4 25
Fibroblast growth factor receptor 2 Ligand Interferon Alfa (if... 14 162
Somatostatin receptor type 2 Ligand L-054852 Family 13 88
Carbonic anhydrase 2 Inhibitor N-[2-(1h-indol-5-yl)-butyl]-4-s... 12 70
Integrin beta-3 Inhibitor Elarofiban Family 28 45
D(2) dopamine receptor and D(3) dopamine receptor Ligand Azape... 7 102
cGMP-inhibited 3',5'-cyclic phosphodiesterase A and Cytochrome... 9 40
Histone deacetylase 1 and Histone deacetylase 2 Inhibitor N-(4... 4 21
5-hydroxytryptamine receptor 1A and 5-hydroxytryptamine recept... 4 93
Alpha-1A adrenergic receptor Ligand L-771688 Family 8 14
Poly [ADP-ribose] polymerase 1 Inhibitor 1,7,8,9-tetrahydro-1,... 19 64
Melanocortin receptor 3 and Melanocortin receptor 4 Ligand C[n... 12 10
Cholecystokinin receptor type A Ligand VL-0395 Family 12 117
Inosine-5'-monophosphate dehydrogenase 2 Inhibitor 1-methyl-1h... 24 50
Adenosine receptor A1 and Adenosine receptor A3 Ligand VUF-850... 28 47
Transient receptor potential cation channel subfamily V member... 6 23
Cannabinoid receptor 1 and Cannabinoid receptor 2 Ligand JWH-2... 8 1
D(4) dopamine receptor Ligand ABT-670 Family 4 14
Microsomal triglyceride transfer protein large subunit Inhibit... 5 9
Delta-type opioid receptor Ligand H-poa-ser-gly-phe-leu-thr-oh... 5 12
Cannabinoid receptor 1 Ligand N-phenyl-5,6-dip-tolylpyrazine-2... 11 26
Melanocortin receptor 3 and Melanocortin receptor 4 Ligand C[c... 20 18
C-C chemokine receptor type 5 Ligand GT-1282 Family 21 14
Nitric oxide synthase, inducible and Nitric oxide synthase, br... 4 6
14-alpha sterol demethylase Inhibitor CP-320626 Family 13 76
Poly [ADP-ribose] polymerase 1 Inhibitor 3-ethenylquinoline-8-... 8 4
Cytochrome P450 11B1, mitochondrial and Aromatase Inhibitor 5-... 4 10
Bifunctional epoxide hydrolase 2 Inhibitor N-(3,3-diphenyl-pro... 6 14
Hydroxycarboxylic acid receptor 2 Ligand 2-(6-phenylhexyl)pyri... 4 11
Kappa-type opioid receptor and Mu-type opioid receptor Ligand ... 19 108
Mitogen-activated protein kinase 14 Inhibitor N-(4-fluorobenzy... 19 32
Sodium channel protein type 10 subunit alpha Ligand N-benzyl-5... 11 46
Proto-oncogene tyrosine-protein kinase Src Inhibitor 5,7-diphe... 2 11
cAMP-specific 3',5'-cyclic phosphodiesterase 4A and cAMP-speci... 3 29
Glutamate receptor 1 Ligand Piriqualone Family 8 67
3-oxo-5-alpha-steroid 4-dehydrogenase 1 and 3-oxo-5-alpha-ster... 3 27
Endothelin B receptor Ligand IRL-2500 Family 34 87
Vasopressin V1a receptor and Vasopressin V1b receptor Ligand D... 10 19
Amine oxidase [flavin-containing] A Inhibitor N-benzyl-1h-pyrr... 12 46
Gamma-aminobutyric acid receptor subunit alpha-1 and Gamma-ami... 12 72
Metabotropic glutamate receptor 1 Ligand N-(2-phenylpropyl)qui... 3 1
Vasopressin V2 receptor Ligand YM-35278 Family 33 38
Acetylcholinesterase and Cholinesterase Inhibitor 7-oxo-7h-dib... 2 3
Acetylcholinesterase and Cholinesterase Inhibitor 3-(2-diethyl... 12 160
Histone deacetylase Inhibitor ST-5732 Family 8 6
Substance-K receptor ligand 1-N,2-N-bis[2-(1H-indol-3-yl)ethyl... 1 0
Renin inhibitor (2S,4S,5S)-6-cyclohexyl-4-hydroxy-5-[[(2S)-2-[... 3 0
Pol polyprotein inhibitor AC1LAD48 family 19 5
Dipeptidyl peptidase 4 inhibitor (1S,3S,5S)-2-[(2S)-2-amino-2-... 3 5
RAC-alpha serine/threonine-protein kinase and Cyclin-dependent... 3 7
Rho-associated protein kinase 2 and cAMP-dependent protein kin... 2 7
Protein farnesyltransferase/geranylgeranyltransferase type-1 s... 17 14
Substance-K receptor ligand 6-methyl-N-[1-[[(2S)-1-phenyl-5-[4... 4 0
Mitogen-activated protein kinase 14 and Mast/stem cell growth ... 4 4
Tyrosine-protein kinase JAK2 and Tyrosine-protein kinase JAK1 ... 2 4
Gonadotropin-releasing hormone receptor ligand 1-(3-azabicyclo... 6 2
Gonadotropin-releasing hormone receptor ligand 5-[2-[[(2S)-2-[... 7 58
Pol polyprotein inhibitor N-[3-[[(4R,5R,6R)-4-benzyl-5-hydroxy... 1 0
Neuropeptide Y receptor type 5 ligand 2-[4-(benzenesulfonamido... 2 27
Muscarinic acetylcholine receptor M2 ligand AGN-PC-0745NK family 2 6
Survival motor neuron protein and Beta-lactamase inhibitor CHE... 1 0
Substance-P receptor ligand N-[(1S,2R)-2-[[(1R)-1-[methyl-(2-p... 2 0
Disintegrin and metalloproteinase domain-containing protein 17... 2 11
MAP kinase-activated protein kinase 2 inhibitor CHEMBL1233942 ... 6 0
Prothrombin inhibitor (2S)-N-[(6-carbamimidoylpyridin-3-yl)met... 2 14
Mitogen-activated protein kinase 14 inhibitor AGN-PC-09M8RE fa... 6 1
Neuronal acetylcholine receptor subunit alpha-7 and Acetylchol... 2 3
MAP kinase-activated protein kinase 2 and Mitogen-activated pr... 5 2
Histamine H3 receptor ligand AGN-PC-04YWRD family 5 13
Cathepsin K inhibitor SureCN2155973 family 3 1
3-oxo-5-alpha-steroid 4-dehydrogenase 1 and 3-oxo-5-alpha-ster... 1 1
Pol polyprotein and Protease inhibitor Palinavir family 1 0
Prelamin-A/C and Tyrosyl-DNA phosphodiesterase 1 inhibitor nif... 1 0
Disintegrin and metalloproteinase domain-containing protein 17... 4 0
Disintegrin and metalloproteinase domain-containing protein 17... 3 3
Prelamin-A/C and Pyruvate kinase PKM inhibitor CHEMBL1481187 f... 1 7
Peptide deformylase inhibitor (2R)-N-[(2S)-3,3-dimethyl-1-oxo-... 2 1
C-C chemokine receptor type 1 ligand N-[(2S,3S,5R)-5-carbamoyl... 10 4
Metabotropic glutamate receptor 2 and Metabotropic glutamate r... 5 3
5-hydroxytryptamine receptor 1D and 5-hydroxytryptamine recept... 3 1
Acetylcholinesterase inhibitor CHEMBL1651131 family 6 9
Pol polyprotein inhibitor (2S,4S,5S)-5-acetamido-6-cyclohexyl-... 3 3
Bifunctional epoxide hydrolase 2 inhibitor AGN-PC-04SK7R family 3 3
Substance-K receptor ligand N-[1-[[(2S)-1-[[1-(oxan-4-ylmethyl... 3 0
Dipeptidyl peptidase 4 and Dipeptidyl peptidase 8 inhibitor 2-... 18 2
Substance-P receptor ligand N-[(2S)-5-[3,5-bis(trifluoromethyl... 4 6
5-hydroxytryptamine receptor 1A and D(2) dopamine receptor lig... 3 2
5-hydroxytryptamine receptor 1A and D(2) dopamine receptor lig... 18 3
Substance-P receptor and Neuromedin-K receptor ligand SureCN88... 4 14
D(3) dopamine receptor and D(2) dopamine receptor ligand AGN-P... 4 1
Histamine H3 receptor ligand SureCN1857507 family 1 4
Renin inhibitor (3R,4S)-N-cyclopropyl-N-[[2-(3-methoxypropyl)q... 2 0
Renin and Potassium voltage-gated channel subfamily H member 2... 9 2
Renin inhibitor [2-[(3-fluoro-2-methylphenyl)methyl]-6-methyl-... 2 1
Coagulation factor X and Prothrombin inhibitor 2-carboxyindole... 2 8
Sodium-dependent serotonin transporter and 5-hydroxytryptamine... 2 1
Neuronal acetylcholine receptor subunit alpha-7 ligand AGN-PC-... 7 1
Ribosomal protein S6 kinase alpha-3 inhibitor 1-oxo-N-[1-(pyri... 5 11
Neuronal acetylcholine receptor subunit alpha-7 and Neuronal a... 8 5
Delta-type opioid receptor and Potassium voltage-gated channel... 2 0
5-hydroxytryptamine receptor 2A and 5-hydroxytryptamine recept... 5 4
Mitogen-activated protein kinase 14 and Mitogen-activated prot... 1 1
Melanin-concentrating hormone receptor 1 and Melanin-concentra... 3 1
Substance-P receptor ligand [3,5-bis(trifluoromethyl)phenyl]-[... 17 1
Orexin receptor type 1 and Orexin receptor type 2 ligand N-[[(... 9 5
Orexin receptor type 1 and Orexin receptor type 2 ligand N-[[(... 1 0
Hematopoietic prostaglandin D synthase inhibitor 4-(3-methylis... 1 7
Oxytocin receptor ligand (3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)... 20 2
Egl nine homolog 1 inhibitor 1'-[(3-methylpyridin-2-yl)methyl]... 6 4
Protein kinase C theta type inhibitor (2-aminopyridin-3-yl)-[6... 4 1
cAMP-specific 3',5'-cyclic phosphodiesterase 4B and cAMP-speci... 2 3
Melanin-concentrating hormone receptor 1 ligand N-[(3S)-1-[[(3... 2 0
Dipeptidyl peptidase 4 and Dipeptidyl peptidase 8 inhibitor Di... 2 3
Probable G-protein coupled receptor 142 ligand (2S)-N-(2-oxo-5... 2 1
Beta-secretase 1 and Potassium voltage-gated channel subfamily... 2 11
Renin inhibitor (E)-but-2-enedioic acid;(3S,5R)-5-[4-(2-chloro... 6 8
RAC-beta serine/threonine-protein kinase and 3-phosphoinositid... 11 4
Cannabinoid receptor 1 ligand N-(cyclobutylmethyl)-3-[[4-(meth... 1 1
Cannabinoid receptor 1 and Cytochrome P450 3A4 ligand N-(oxan-... 2 0
Coagulation factor X inhibitor 3-chloro-N-[(1S,2S)-2-[[4-(2-ox... 22 3
Gonadotropin-releasing hormone receptor ligand 1-adamantyl-[2-... 3 1
Neutrophil elastase inhibitor N-[(2S)-3-methyl-1-oxo-1-[(2S)-2... 4 4
Leucine-rich repeat serine/threonine-protein kinase 2 inhibito... 2 3
Dipeptidyl peptidase 4 inhibitor (1S,3S,5S)-2-[(2S)-2-amino-2-... 1 2
Disintegrin and metalloproteinase domain-containing protein 17... 7 9
Disintegrin and metalloproteinase domain-containing protein 17... 13 3
Motilin receptor ligand SureCN2768052 family 3 0
C-C chemokine receptor type 1 ligand N-[(2R)-1-[4-(4-chlorophe... 2 1
Nicotinamide phosphoribosyltransferase inhibitor N-[[4-(3-fluo... 6 4
Metabotropic glutamate receptor 5 ligand AGN-PC-09SALK family 2 15
C-C chemokine receptor type 5 ligand 6-chloro-N-[(3R)-3-[4-[(5... 16 4
Phospholipase D1 and Phospholipase D2 inhibitor SureCN10311349... 2 14
Histone deacetylase 1 inhibitor (2S)-N'-hydroxy-2-(pyridine-2-... 3 0
Dipeptidyl peptidase 4 and Dipeptidyl peptidase 8 inhibitor (2... 2 2
Pol polyprotein inhibitor AC1LALGZ family 2 14
CGMP-dependent protein kinase inhibitor 1-[4-acetyl-3-[[4-[5-(... 2 0
Pol polyprotein inhibitor 183854-15-1 family 3 0
Bombesin receptor subtype-3 ligand SureCN13887096 family 3 1
Platelet-activating factor receptor ligand (1-ethylindol-3-yl)... 17 13
Platelet-activating factor receptor ligand (4R)-N-(3-benzoylph... 2 1
Substance-K receptor and Substance-P receptor ligand 3,5-dichl... 3 0
Stromelysin-3 and Neutrophil collagenase inhibitor AGN-PC-074N... 3 1
Platelet-activating factor receptor ligand SureCN9853140 family 3 3
Substance-P receptor and Substance-K receptor ligand N-methyl-... 2 2
Histone deacetylase 1 inhibitor AGN-PC-0456JP family 1 0
KiSS-1 receptor ligand SureCN5132924 family 2 4
Gonadotropin-releasing hormone receptor ligand 1-[2-(3,5-dimet... 2 0
Sodium-dependent serotonin transporter and D(2) dopamine recep... 1 0
5-hydroxytryptamine receptor 3E and 5-hydroxytryptamine recept... 1 1
5-hydroxytryptamine receptor 1D and 5-hydroxytryptamine recept... 5 0
Cytochrome P450 2C9 inhibitor AGN-PC-04XDND family 1 3
Macrophage colony-stimulating factor 1 receptor ligand AGN-PC-... 3 0
Dipeptidyl peptidase 4 inhibitor SureCN5777667 family 1 4
Neuronal acetylcholine receptor subunit alpha-4 and Neuronal a... 1 1
Poly [ADP-ribose] polymerase 1 inhibitor AGN-PC-07R9GP family 5 0
Mitogen-activated protein kinase 14 inhibitor N-cyclopropyl-4-... 1 0
Acetylcholinesterase inhibitor CHEMBL267591 family 5 0
Vesicular acetylcholine transporter and Sigma non-opioid intra... 2 0


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00379929 CHEMBL1683152 Bioactive N-[1-[[(2R)-5-[4-(oxan-4-ylmethyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]isoquinoline-3-carboxamide

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
 

 

27744 visits since 2014 .........

 



Dr. Chen Yuzong

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


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543