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 CFFBM9684
Family Name Pol polyprotein inhibitor MDL 74538 family
No. of Seeds 11 No. of Other Members 1
Family Centroid CFAMM00397307 Functional Category Bioactive
Superfamily Cathepsin S and Cathepsin L1 Binder Superfamily 2
Class Class 412

Cousin Family NamesSeedsMembers
Melatonin receptor type 1A and Melatonin receptor type 1B liga... 61 433
Serotonin re-uptake Inhibitor Fluoxetine Family 18 682
Beta-1 adrenergic receptor Ligand Esmolol Family 5 39
Sodium channel protein type 5 subunit alpha Ligand Flecainide ... 2 162
Angiotensin-converting enzyme Inhibitor Moexipril Family 5 469
Glycoprotein IIb/IIIa receptor Ligand Tirofiban Family 4 173
HIV-1 protease Inhibitor Lopinavir Family 4 25
Mu-type opioid receptor Ligand Alvimopan Family 32 325
Renin Inhibitor Aliskiren Family 28 107
Thymopentin family 20 133
Serine/threonine-protein kinase PLK1 Inhibitor On 019190.na Fa... 16 138
Growth hormone secretagogue receptor type 1 Ligand TZP-101 Family 28 263
C-C chemokine receptor type 5 Ligand GW873140 Family 6 78
Sodium- and chloride-dependent glycine transporter 1 Inhibitor... 6 33
Plitidepsin family 15 5
Flovagatran family 12 546
A disintegrin and metalloproteinase with thrombospondin motifs... 7 119
Neuropeptide Y receptor type 1 Ligand Bibp 3226 Family 43 80
C-C chemokine receptor type 5 Ligand E-913 Family 6 44
Vasopeptidase Inhibitor Sampatrilat Family 25 9
Voltage-dependent L-type calcium channel Ligand PD173212 Family 24 104
Cathepsin F and Cruzipain Inhibitor Benzoyl-arginine-alanine-m... 49 348
Cruzipain Inhibitor WRR-204 Family 18 35
Cathepsin F Inhibitor Benzoyl-tyrosine-alanine-methyl Ketone F... 34 55
Integrin beta-3 Inhibitor FK-633 Family 2 12
Voltage-dependent N-type calcium channel subunit alpha-1B Liga... 2 2
Plasmepsin-1 and Plasmepsin-2 Inhibitor PS-777621 Family 11 13
Plasmepsin-2 Inhibitor PS-662477 Family 7 55
Disintegrin and metalloproteinase domain-containing protein 17... 25 36
Integrin beta-3 Inhibitor RWJ-53419 Family 6 65
Cathepsin B and Cathepsin K Inhibitor Z-ala-leu-tyr(me)-agly-i... 2 1
Neuromedin-K receptor Ligand PD-160946 Family 10 32
Cathepsin B and Cathepsin L1 Inhibitor MDL-2170 Family 17 24
Neuromedin-K receptor Ligand PD-157672 Family 9 37
Histamine H3 receptor Ligand A-349821 Family 49 228
Cannabinoid receptor 1 Ligand N-(4-methoxyphenethyl)oleamide F... 10 36
Caspase-1 Inhibitor Z-vad-cho Family 8 34
72 kDa type IV collagenase and Matrix metalloproteinase-9 Inhi... 9 12
Proto-oncogene tyrosine-protein kinase Src Inhibitor Ac-cys-il... 36 12
Voltage-dependent T-type calcium channel subunit alpha-1H Liga... 5 26
Oxytocin receptor Ligand [mpa1, D-tyr(et)2, D-tic7]ot Family 43 26
Matrix metalloproteinase-9 and Collagenase 3 Inhibitor 4-amino... 1 8
Delta-type opioid receptor and Mu-type opioid receptor Ligand ... 49 19
Mu-type opioid receptor Ligand H-tyr-d-ala-aic-asp-val-val-gly... 48 8
Genome polyprotein Inhibitor Acasp-glu-cha-val-prb-cys Family 13 18
Delta-type opioid receptor and Mu-type opioid receptor Ligand ... 152 36
Sodium-dependent dopamine transporter Inhibitor Bip-tyr-thr-pr... 8 2
Delta-type opioid receptor and Mu-type opioid receptor Ligand ... 8 4
Delta-type opioid receptor and Mu-type opioid receptor Ligand ... 95 46
Gamma-secretase subunit APH-1B and Presenilin-1 Inhibitor 3114... 8 9
Vasopressin V1a receptor Ligand Vasopressin Analogue Family 4 3
Calpain-2 catalytic subunit and Calpain-1 catalytic subunit in... 5 2
Pol polyprotein inhibitor tert-butyl N-[(2S,3S,5R)-5-benzyl-3-... 2 3
Pol polyprotein inhibitor 180968-31-4 family 8 13
Matrilysin and 72 kDa type IV collagenase inhibitor (3S,6R,7S)... 2 2
Melatonin receptor type 1A and Melatonin receptor type 1B liga... 6 19
Pol polyprotein inhibitor benzyl N-[(2S)-1-[[(2S,3S,4R,5S)-3,4... 21 5
Growth hormone secretagogue receptor type 1 ligand 2-amino-2-m... 1 0
Cathepsin K inhibitor [1-(3-methoxyphenyl)-2-methylpropan-2-yl... 2 10
Neprilysin and Angiotensin-converting enzyme inhibitor AGN-PC-... 3 7
Histamine H3 receptor ligand 1-(4-pentan-3-ylpiperazin-1-yl)-2... 1 1
Glutamate receptor ionotropic, kainate 2 ligand (2S,3S,4S)-4-[... 4 10
E3 ubiquitin-protein ligase XIAP inhibitor N-METHYLALANYL-3-ME... 3 14
Renin inhibitor (1R,5S)-N-cyclopropyl-N-[(3-methoxy-2-methylph... 4 4
Calpain-1 catalytic subunit and Cathepsin B inhibitor AGN-PC-0... 6 1
Calpain-2 catalytic subunit and Calpain-1 catalytic subunit in... 6 1
Cathepsin B and Calpain-1 catalytic subunit inhibitor AGN-PC-0... 3 1
Neutrophil collagenase and Stromelysin-1 inhibitor AGN-PC-075O... 14 27
Disintegrin and metalloproteinase domain-containing protein 17... 2 0
Neprilysin inhibitor SureCN389939 family 5 6
Neutrophil elastase inhibitor benzyl N-[(2S)-1-[(2S)-2-[[(3S)-... 4 0
Renin and Cathepsin D inhibitor tert-butyl N-[(2S)-1-[[(2S)-1-... 3 4
Integrin beta-1 and Integrin alpha-4 inhibitor (2S)-2-[[(4S)-3... 3 24
Growth hormone secretagogue receptor type 1 ligand tert-butyl ... 5 4
Pol polyprotein inhibitor AC1LADQG family 7 1
Histone deacetylase and Histone deacetylase 3 inhibitor (3S,6S... 1 0
Growth hormone secretagogue receptor type 1 ligand 2-(2-acetyl... 2 0
Growth hormone secretagogue receptor type 1 ligand 2-benzylsul... 2 0
Beta-secretase 1 inhibitor (2S)-2-[(3S)-3-acetamido-3-butan-2-... 6 3
NS3 inhibitor Proline-Based Macrocycle 24 family 6 6
NS3 inhibitor CHEMBL201121 family 1 4
Histamine H3 receptor and Cytochrome P450 2D6 ligand ethyl 4-[... 5 5
Prostaglandin G/H synthase 1 and Prostaglandin G/H synthase 2 ... 3 191
Cathepsin K and Cathepsin S inhibitor (1R,2R)-N-[cyano-(2-meth... 1 0
Mu-type opioid receptor and Delta-type opioid receptor ligand ... 15 4
Baculoviral IAP repeat-containing protein 3 and E3 ubiquitin-p... 7 1
Vasopressin V1a receptor and Vasopressin V1b receptor ligand C... 6 0
Integrin beta-3 and Integrin alpha-IIb inhibitor (2S)-5-(diami... 2 0
Renin inhibitor AGN-PC-076HPD family 1 0
C-C chemokine receptor type 5 ligand 4-[4-[[4-[(5R)-3-cyclohex... 4 2
Angiotensin-converting enzyme 2 and Neprilysin inhibitor (2S)-... 6 1
Renin inhibitor (3S,6R)-6-(cyclohexylmethyl)-7-hydroxy-7-[[(2S... 1 0
Pol polyprotein inhibitor SDZ PRI 053 family 8 1
Renin and Cathepsin D inhibitor (4S)-5-cyclohexyl-2,2-difluoro... 2 0
C-C chemokine receptor type 1 ligand SureCN8184421 family 11 10
Integrin beta-1 and Integrin alpha-4 inhibitor (2R)-3-[4-(2-me... 18 1
Integrin beta-1 and Integrin alpha-4 inhibitor (2S)-3-[4-(2-me... 4 0
Pol polyprotein inhibitor N-[2-Hydroxy-2-(8-Isopropyl-6,9-Diox... 7 6
Neprilysin inhibitor benzyl (2S)-3-(4-hydroxyphenyl)-2-[[2-(su... 1 1
Follicle-stimulating hormone receptor ligand SureCN6140614 family 2 8
Tryptase alpha/beta-1 and Tryptase delta inhibitor (2S,3R)-4-o... 4 5
Cathepsin S and Cathepsin L1 inhibitor benzyl N-[(2S)-1-oxo-1-... 2 2
Pol polyprotein inhibitor (3S)-N-tert-butyl-2-[(2R)-2-[(3S,6S,... 3 1
Stromelysin-1 and Interstitial collagenase inhibitor (2R)-2-[4... 4 1
Neprilysin and Angiotensin-converting enzyme inhibitor (2S)-2-... 1 0
Cathepsin K and Cathepsin L1 inhibitor dipeptidyl nitrile, 16c... 1 0
Renin inhibitor ethyl N-[1-[[1-[[(2S,3R,4S)-1-cyclohexyl-3,4-d... 2 0
Scytalone dehydratase inhibitor 2-cyano-N-[(1S,2R)-1-(2-cyanop... 5 0
Histamine H3 receptor and D(3) dopamine receptor ligand AGN-PC... 1 0
Renin inhibitor (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-... 2 0
Neuropeptide Y receptor type 1 and Sodium-dependent serotonin ... 2 7
72 kDa type IV collagenase and Interstitial collagenase inhibi... 2 0
Stromelysin-1 inhibitor (2R)-2-[[(2S)-1-[(6S)-6-(methylcarbamo... 1 1
Metabotropic glutamate receptor 1 ligand methyl (2R)-2-[[(1aR,... 2 0
N-acylethanolamine-hydrolyzing acid amidase inhibitor (4-pheny... 1 0
Pol polyprotein inhibitor AC1MHYEO family 1 0
Sodium channel protein type 1 subunit alpha and Sodium channel... 2 0


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00397307 CHEMBL21095 Bioactive MDL 74538
CFAMM00397300 CHEMBL314234 Bioactive benzyl N-[(2S)-1-[[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4,4-difluoro-3,5-dioxo-1-(4-phenylmethoxyphenyl)pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CFAMM00397306 CHEMBL20143 Bioactive (2R)-2-[[2,2-difluoro-4-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-oxo-5-(4-phenylmethoxyphenyl)pentanoyl]amino]-3-methylbutanoic acid
CFAMM00397299 CHEMBL82829 Bioactive benzyl N-[2-[[5-(benzylamino)-4,4-difluoro-3,5-dioxo-1-(4-phenylmethoxyphenyl)pentan-2-yl]amino]-1-cyclopentyl-2-oxoethyl]carbamate
CFAMM00397305 CHEMBL19886 Bioactive benzyl N-[(2S)-1-[[4,4-difluoro-5-[[(1S)-1-(2-methoxyethoxymethoxy)-2-methylpropyl]amino]-3,5-dioxo-1-(4-phenylmethoxyphenyl)pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CFAMM00397298 CHEMBL283537 Bioactive benzyl N-[(2S)-1-[[4,4-difluoro-3,5-dioxo-1-(4-phenylmethoxyphenyl)-5-[[(1R)-1-phenyl-2-phenylmethoxyethyl]amino]pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CFAMM00397304 CHEMBL311049 Bioactive benzyl N-[(2S)-1-[[4,4-difluoro-5-morpholin-4-yl-3,5-dioxo-1-(4-phenylmethoxyphenyl)pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CFAMM00397297 CHEMBL278375 Bioactive methyl (2R)-2-[[2,2-difluoro-4-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-oxo-5-(4-phenylmethoxyphenyl)pentanoyl]amino]-3-methylbutanoate
CFAMM00397303 CHEMBL20642 Bioactive benzyl N-[(2S)-1-[[4,4-difluoro-5-[(3-methyl-1-oxobutan-2-yl)amino]-3,5-dioxo-1-(4-phenylmethoxyphenyl)pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CFAMM00397302 CHEMBL19545 Bioactive tert-butyl (2R)-2-[[2,2-difluoro-4-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-oxo-5-(4-phenylmethoxyphenyl)pentanoyl]amino]-3-methylbutanoate
CFAMM00397301 CHEMBL280358 Bioactive benzyl N-[(2S)-1-[[4,4-difluoro-5-[[(2R)-4-methyl-1-phenylmethoxypentan-2-yl]amino]-3,5-dioxo-1-(4-phenylmethoxyphenyl)pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate

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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