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 CFFBM284
Family Name Pol polyprotein inhibitor pyridin-2-ylmethyl N-[(2R)-1-[[(2S,3S,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-methyl-2-(pyridin-2-ylmethoxycarbonylamino)butanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate family
No. of Seeds 15 No. of Other Members 8
Family Centroid CFAMM00309835 Functional Category Bioactive
Superfamily HIV-1 protease Inhibitor Atazanavir Superfamily
Class Class 137

Cousin Family NamesSeedsMembers
HIV protease Inhibitor Indinavir Family 36 211
HIV protease Inhibitor Saquinavir Family 64 428
Gastrin/cholecystokinin type B receptor ligand peptide Pentaga... 26 1171
Somatostatin receptor type 2 ligand octapeptide Octreotide Family 27 172
HIV-1 protease Inhibitor Atazanavir Family 16 58
Gastrin/cholecystokinin type B receptor ligand oligopeptide Ce... 35 209
Indoleamine 2,3-dioxygenase 1 Inhibitor L-tryptophan Family 8 328
Bacterial outer membrane Inhibitor Daptomycin Family 6 50
Somatostatin receptor type 2 ligand octapeptide Lanreotide Family 93 156
ostatin receptor 5 Ligand Pasireotide Diaspartate Family 11 151
5-hydroxytryptamine receptor Ligand Metergolin Family 2 11
Substance-P receptor Ligand GSK424887 Family 8 184
Growth hormone receptor Ligand EP-51216 Family 34 390
CBP-501 family 7 8
CP-18770 family 6 27
Cholecystokinin receptor type A Ligand A-71378 Family 77 23
Gastrin/cholecystokinin type B receptor Ligand PD136450 Family 53 117
Lethal factor Inhibitor GM6001 Family 50 435
Substance-K receptor and Substance-P receptor Ligand L-732138 ... 8 147
Integrin beta-3 Inhibitor Elarofiban Family 28 45
Cathepsin B and Cathepsin K Inhibitor Z-arg-leu-val-agly-ile-v... 3 19
Renin Inhibitor Sul-pro-phe-n-mehis-lva-ile-amp Family 47 54
Delta-type opioid receptor and Gastrin/cholecystokinin type B ... 19 0
Delta-type opioid receptor Ligand H-poa-ser-gly-phe-leu-thr-oh... 5 12
Angiotensin-converting enzyme and Endothelin-converting enzyme... 2 10
Endothelin B receptor Ligand IRL-2500 Family 34 87
Vasopressin V1a receptor and Vasopressin V1b receptor Ligand D... 10 19
Delta-type opioid receptor and Mu-type opioid receptor Ligand ... 18 72
Somatostatin receptor type 1 and Somatostatin receptor type 2 ... 46 0
Renin inhibitor (2S,4S,5S)-6-cyclohexyl-4-hydroxy-5-[[(2S)-2-[... 3 0
Pol polyprotein inhibitor AC1LAD48 family 19 5
C-C chemokine receptor type 5 ligand AC1LAJEM family 4 14
Cathepsin K and Cathepsin S inhibitor dipeptidyl nitrile, 16f ... 3 18
Plasmepsin-1 and Plasmepsin-2 inhibitor Statine-like inhibitor... 13 5
Neutrophil elastase inhibitor SureCN7284457 family 4 6
Pol polyprotein inhibitor N-[3-[[(4R,5R,6R)-4-benzyl-5-hydroxy... 1 0
Neutrophil collagenase and Stromelysin-3 inhibitor AC1MORIH fa... 7 9
Pol polyprotein inhibitor Carbamic acid, ((2-hydroxy-1,4-bis(p... 21 1
Cathepsin L1 and Cathepsin K inhibitor benzyl N-[(2S)-1-oxo-3-... 1 1
Pol polyprotein inhibitor AC1LAMRC family 3 0
Calpain-2 catalytic subunit and Calpain-1 catalytic subunit in... 8 8
Pol polyprotein inhibitor BEJ family 2 0
Pol polyprotein and Protease inhibitor Palinavir family 1 0
Calpain-1 catalytic subunit and Cathepsin B inhibitor AGN-PC-0... 5 2
Somatostatin receptor type 2 ligand tert-butyl (2S)-6-amino-2-... 1 2
Cholecystokinin receptor type A and Gastrin/cholecystokinin ty... 4 53
Gastrin/cholecystokinin type B receptor and Cholecystokinin re... 2 0
Growth hormone-releasing hormone receptor ligand ethyl (1S)-1'... 3 2
Gastrin/cholecystokinin type B receptor and Cholecystokinin re... 3 0
Cruzipain and Cathepsin L1 inhibitor pyridin-3-ylmethyl N-[(2S... 7 4
C-C chemokine receptor type 1 ligand N-[(2S,3S,5R)-5-carbamoyl... 10 4
Pol polyprotein inhibitor (2S,4S,5S)-5-acetamido-6-cyclohexyl-... 3 3
Interstitial collagenase and Matrilysin inhibitor (2S,3R)-N,2-... 3 1
Renin inhibitor (3R)-4-[[(2S,5S)-1-cyclohexyl-3-hydroxy-6-meth... 3 4
Pol polyprotein inhibitor (2R,3R,4R,5S)-5-[[(2S)-2-[5-[(4R,6aS... 1 0
Neuropeptide Y receptor type 5 ligand SureCN3380922 family 2 6
Integrin beta-3 and Integrin alpha-V inhibitor (2S)-3-[5-methy... 4 5
Beta-secretase 1 inhibitor (2S)-2-[(3S)-3-acetamido-3-butan-2-... 4 4
Metabotropic glutamate receptor 5 ligand AGN-PC-075X3Y family 2 6
Caspase-1 and Caspase-8 inhibitor (4S,7S,11aS)-2-(benzenesulfo... 3 0
Pol polyprotein inhibitor AC1LAHQ9 family 8 15
Prothrombin and Tissue-type plasminogen activator inhibitor 2-... 4 5
Cathepsin K and Cathepsin S inhibitor dipeptidyl nitrile, 16b ... 2 0
Pol polyprotein inhibitor AC1LAHRX family 4 0
Renin inhibitor tert-butyl N-[1-[[1-[[(2S,3S)-1-cyclohexyl-3-h... 1 0
Pancreatic alpha-amylase and Gastrin/cholecystokinin type B re... 7 1
Beta-secretase 1 and Cathepsin B inhibitor SureCN14347937 family 4 1
Gastrin/cholecystokinin type B receptor and Cholecystokinin re... 2 4
Renin inhibitor (2S,4S,5S)-5-amino-6-[4-(2-chlorophenyl)-2,2-d... 3 0
Integrin beta-3 and Integrin alpha-IIb inhibitor SureCN7013744... 2 3
Pol polyprotein inhibitor Cyclic Urea 68 family 4 0
Renin inhibitor tert-butyl N-[1-[[1-[[1-cyclohexyl-4,4-difluor... 5 0
Pol polyprotein inhibitor AC1LALGZ family 2 14
Integrin beta-3 and Integrin alpha-IIb inhibitor SureCN7152283... 2 1
Stromelysin-1 and 72 kDa type IV collagenase inhibitor (2S,4R)... 2 2
Pol polyprotein inhibitor Palinavir deriv. 13 family 1 0
Neutrophil collagenase and Stromelysin-3 inhibitor [3-[[1-amin... 3 2
Pol polyprotein inhibitor 183854-15-1 family 3 0
Renin and Cathepsin D inhibitor (4S)-5-cyclohexyl-2,2-difluoro... 4 1
Pol polyprotein inhibitor [(2R,3R)-1,1-dioxo-2-propan-2-ylthio... 11 0
Renin inhibitor tert-butyl N-[1-[[1-[[(3R,4S)-1-cyclohexyl-3,4... 2 2
Gonadotropin-releasing hormone receptor ligand methyl 4-[2-[[(... 2 1
Pol polyprotein inhibitor AC1LAMQU family 2 0
Alpha-2A adrenergic receptor and Alpha-2B adrenergic receptor ... 9 3
Beta-secretase 1 and Cathepsin B inhibitor SureCN14347784 family 4 0
CGMP-dependent protein kinase inhibitor AGN-PC-0761UG family 1 2
Pol polyprotein inhibitor N-benzyl-2,2-difluoro-4-[[(2S)-3-met... 1 1
Pol polyprotein inhibitor 173094-24-1 family 1 0
Caspase-1 inhibitor (3S)-5-[2-(1H-indol-3-yl)acetyl]oxy-4-oxo-... 1 0
Pol polyprotein inhibitor tert-butyl N-[(2S,3R)-3-hydroxy-4-[[... 1 1
Putative NP ZINC03999154 Family 4 0


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00309839 CHEMBL113627 Bioactive pyridin-3-ylmethyl N-[(2S)-1-[[(2S,3S,4S)-3-hydroxy-4-[[(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-1,5-diphenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CFAMM00309832 CHEMBL112186 Bioactive pyridin-3-ylmethyl N-[(2R)-1-[[(2S,4S)-3-hydroxy-4-[[(2S)-3-methyl-2-(pyridin-3-ylmethoxycarbonylamino)butanoyl]amino]-1,5-diphenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CFAMM00309845 CHEMBL322804 Bioactive pyridin-4-ylmethyl N-[(2R)-1-[[(2S,3S,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-methyl-2-(pyridin-4-ylmethoxycarbonylamino)butanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CFAMM00309838 CHEMBL109221 Bioactive pyridin-4-ylmethyl N-[(2S)-1-[[(2S,3S,4R,5S)-3,4-dihydroxy-5-[[(2R)-3-methyl-2-(pyridin-4-ylmethoxycarbonylamino)butanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CFAMM00309850 CHEMBL9711 Bioactive AC1LAD2W
CFAMM00309830 CHEMBL331814 Bioactive pyridin-2-ylmethyl N-[(2S)-1-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2R)-3-methyl-2-(pyridin-2-ylmethoxycarbonylamino)butanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CFAMM00309843 CHEMBL324596 Bioactive pyridin-3-ylmethyl N-[(2S)-1-[[(2S,3S,4R,5S)-3,4-dihydroxy-5-[[(2R)-3-methyl-2-(pyridin-3-ylmethoxycarbonylamino)butanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CFAMM00309836 CHEMBL269373 Bioactive AC1LAD2T
CFAMM00309829 CHEMBL322941 Bioactive pyridin-3-ylmethyl N-[(2R)-1-[[(2S,3S,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-methyl-2-(pyridin-3-ylmethoxycarbonylamino)butanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CFAMM00309842 CHEMBL112958 Bioactive pyridin-2-ylmethyl N-[(2S)-1-[[(2S,3S,4R,5S)-3,4-dihydroxy-5-[[(2R)-3-methyl-2-(pyridin-2-ylmethoxycarbonylamino)butanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CFAMM00309835 CHEMBL112859 Bioactive pyridin-2-ylmethyl N-[(2R)-1-[[(2S,3S,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-methyl-2-(pyridin-2-ylmethoxycarbonylamino)butanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CFAMM00309848 CHEMBL265375 Bioactive pyridin-2-ylmethyl N-[1-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[3-methyl-2-(pyridin-2-ylmethoxycarbonylamino)butanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CFAMM00309841 CHEMBL1790106 Bioactive benzyl N-[3-benzyl-1-[(2S)-1-[[(4S,5S,7S)-5-hydroxy-2,8-dimethyl-7-[[(2S,3R)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]carbamoyl]nonan-4-yl]amino]-1-oxohexan-2-yl]-2-oxopyrrolidin-3-yl]carbamate
CFAMM00309834 CHEMBL323595 Bioactive pyridin-3-ylmethyl N-[(2S)-1-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2R)-3-methyl-2-(pyridin-3-ylmethoxycarbonylamino)butanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CFAMM00309847 CHEMBL107125 Bioactive 161510-55-0

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
 

 

26223 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