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 CFFBM1071
Family Name Pol polyprotein inhibitor benzyl N-[(2S)-1-[[(2S,3S,4R,5S)-3,4-dihydroxy-5-[[(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate family
No. of Seeds 21 No. of Other Members 5
Family Centroid CFAMM00319052 Functional Category Bioactive
Superfamily Pol polyprotein and Cathepsin B Binder Superfamily 2
Class Class 2047

Cousin Family NamesSeedsMembers
Sodium channel protein type 5 subunit alpha Ligand Hexylcaine ... 4 94
Angiotensin-converting enzyme inhibitor Dicarboxylate-containi... 16 374
HIV-1 protease Inhibitor Lopinavir Family 4 25
Angiotensin-converting enzyme inhibitor Dicarboxylate-containi... 7 54
ATP-sensitive inward rectifier potassium channel 10 Ligand Nat... 3 233
Serum albumin Inhibitor Gadobenate Dimeglumine Family 1 2
Bacterial outer membrane Inhibitor Polymyxin B Family 17 181
Growth hormone secretagogue receptor type 1 Ligand TZP-101 Family 28 263
VTP-27999 family 24 23
Flovagatran family 12 546
Renin Inhibitor CP-80794 Family 16 112
Voltage-dependent L-type calcium channel Ligand PD173212 Family 24 104
Cathepsin F and Cruzipain Inhibitor Benzoyl-arginine-alanine-m... 49 348
Cathepsin F and Cruzipain Inhibitor WRR-99 Family 13 131
Cruzipain Inhibitor WRR-204 Family 18 35
Cathepsin F Inhibitor Benzoyl-tyrosine-alanine-methyl Ketone F... 34 55
Beta-secretase 1 Inhibitor MMI-175 Family 30 137
Plasmepsin-1 and Plasmepsin-2 Inhibitor PS-777621 Family 11 13
Disintegrin and metalloproteinase domain-containing protein 17... 8 7
Plasmepsin-2 Inhibitor PS-222036 Family 12 134
Integrin beta-3 Inhibitor RWJ-53419 Family 6 65
Cathepsin B and Cathepsin K Inhibitor Z-ala-leu-lle-agly-ile-v... 17 7
Cathepsin B and Cathepsin K Inhibitor Z-ala-leu-nal-agly-ile-v... 3 2
Plasmepsin-1 Inhibitor SC-5003 Family 93 173
Substance-P receptor Ligand L-733060 Family 19 71
Neuromedin-K receptor Ligand PD-160946 Family 10 32
Nociceptin receptor Ligand Fggftgcrkscrk Family 10 0
Cathepsin B and Cathepsin L1 Inhibitor MDL-2170 Family 17 24
Neuromedin-K receptor Ligand PD-157672 Family 9 37
Beta-secretase 1 Inhibitor Glu-leu-asp-leu-(choh-ch2)-ala-ala-... 15 11
Calcitonin gene-related peptide type 1 receptor Ligand Fvptdvg... 8 8
Caspase-1 Inhibitor Z-vad-cho Family 8 34
Cathepsin B and Cathepsin S Inhibitor Cbz-ile-leu-ala-leuvsme ... 12 14
Mu-type opioid receptor and Nociceptin receptor Ligand Ac-ryyr... 60 11
Beta-secretase 1 Inhibitor KMI-172 Family 3 0
Delta-type opioid receptor and Kappa-type opioid receptor Liga... 6 24
Delta-type opioid receptor and Mu-type opioid receptor Ligand ... 14 110
Disks large homolog 4 Inhibitor N-(3,4-difluorophenyl)propyl-e... 3 0
Integrin alpha-V Inhibitor C[rgdf-(3s)-carboxymorpholine] Family 10 2
Caspase-4 and Cathepsin D Inhibitor Grassystatin A Family 24 6
Genome polyprotein Inhibitor Acdif-ile-cha-cys Family 37 96
Genome polyprotein Inhibitor Acasp-glu-cha-val-prb-cys Family 13 18
Delta-type opioid receptor and Mu-type opioid receptor Ligand ... 152 36
Mu-type opioid receptor and Nociceptin receptor Ligand Nocicep... 35 5
Serine/threonine protein phosphatase PP1-alpha 1 catalytic sub... 10 0
Gamma-secretase subunit APH-1B and Presenilin-1 Inhibitor 3114... 8 9
Caspase-3 and Caspase-1 inhibitor (4S)-5-[[(2S)-1-[[(3S)-2-hyd... 1 2
Renin inhibitor (2S,4S,5S)-N-butyl-6-cyclohexyl-4-hydroxy-5-[[... 12 1
Renin inhibitor (2S,4S,5S)-N-(4-aminobutyl)-6-cyclohexyl-4-hyd... 32 2
Renin inhibitor benzyl N-[3-[[(2S,4S,5S)-6-cyclohexyl-4-hydrox... 2 0
Pol polyprotein inhibitor tert-butyl N-[(2S,3S,5R)-3-hydroxy-6... 40 29
Renin inhibitor (2S,4S,5S)-N-[3-[[amino-(cyanoamino)methyliden... 7 0
Pol polyprotein inhibitor AC1LAK4B family 16 11
Pol polyprotein inhibitor tert-butyl N-[(2S,3S,5R)-5-benzyl-3-... 2 3
Pol polyprotein inhibitor 180968-31-4 family 8 13
Pol polyprotein inhibitor benzyl N-[(2S,3R)-1-[[(2S,3R,4R)-4-(... 5 26
Cathepsin D and Beta-secretase 1 inhibitor tert-butyl N-[(2S)-... 1 0
Cathepsin K inhibitor (4-phenylphenyl) (3S)-3-[[(3S)-1,2-dioxo... 4 10
Beta-secretase 1 and Cathepsin D inhibitor (1R,3S)-N-[(2S,3S)-... 2 25
Cathepsin S inhibitor ethyl 2-[[3-[[(2S)-3-cyclohexyl-2-[(1-me... 3 8
Cathepsin S inhibitor SureCN6857538 family 2 12
Cathepsin S inhibitor ethyl 2-[[3-[[(2S)-3-cyclohexyl-2-[(4-me... 2 9
Neprilysin and Angiotensin-converting enzyme inhibitor AGN-PC-... 2 2
Renin and Cathepsin D inhibitor (2S)-N-[(2S,3R,4S)-1-cyclohexy... 13 2
Pol polyprotein inhibitor (2S)-4-benzyl-1-[(2S,4R)-4-benzyl-2-... 10 4
Neprilysin and Aminopeptidase N inhibitor (2S)-2-[[(2S)-2-[[[a... 13 1
Carboxypeptidase B and Carboxypeptidase B2 inhibitor (2S)-7-am... 3 9
Neprilysin and Aminopeptidase N inhibitor benzyl 2-[[(2S)-2-[[... 1 1
Renin inhibitor tert-butyl N-[1-[[(3S,6S,7R)-6-(cyclohexylmeth... 14 1
Angiotensin-converting enzyme inhibitor (2R)-1-[4-carboxy-4-(p... 3 3
Growth hormone secretagogue receptor type 1 ligand SureCN63170... 1 1
Caspase-1 inhibitor (3S)-5-(3,3-diphenylpropanoyloxy)-3-[[(2S)... 3 6
Caspase-1 inhibitor (3S)-5-[[(3aS,7aS)-2-oxo-3a,4,5,6,7,7a-hex... 3 0
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-2 catalytic subunit inhibitor AGN-PC-0... 2 2
Cathepsin B and Calpain-1 catalytic subunit inhibitor AGN-PC-0... 3 1
Renin and Cathepsin D inhibitor (3S)-4-[[6-acetamido-2-[[3-nap... 6 26
Pol polyprotein inhibitor AC1LA6RA family 4 12
Renin inhibitor [(2R)-1-[[(2S,3S,5R)-6-(butylamino)-1-cyclohex... 5 4
Cathepsin S inhibitor SureCN7397817 family 9 4
Pol polyprotein inhibitor benzyl N-[(2S,3R)-4-[(3aR,6S,7aS)-6-... 3 2
Cathepsin K inhibitor [(3R)-4,4-dimethyl-1-phenylpentan-3-yl] ... 7 7
Neutrophil elastase inhibitor benzyl N-[(2S)-1-[(2S)-2-[[(3S)-... 4 0
Neutrophil collagenase and Matrix metalloproteinase-9 inhibito... 6 1
Renin and Cathepsin D inhibitor tert-butyl N-[(2S)-1-[[(2S)-1-... 3 4
Neutrophil elastase inhibitor benzyl N-[(2S)-3-methyl-1-[(2S)-... 2 0
Pol polyprotein inhibitor Sulfone deriv. 31 family 15 4
Renin and Cathepsin D inhibitor (4S)-5-cyclohexyl-2,2-difluoro... 16 1
Pol polyprotein inhibitor AC1LADQG family 7 1
Pol polyprotein inhibitor methyl (2S)-2-[[(2S,3R)-2-[[1-[(2R,3... 1 0
Endothelin-converting enzyme 1 and Cathepsin D inhibitor N-[(2... 6 2
Melanin-concentrating hormone receptor 1 ligand SureCN7463098 ... 1 0
Beta-secretase 1 inhibitor (2S)-2-[(3S)-3-acetamido-3-butan-2-... 6 3
Beta-secretase 1 inhibitor (2S)-2-[(3S)-3-acetamido-3-butan-2-... 4 6
Pol polyprotein inhibitor MDL 74538 family 11 1
Caspase-1 and Caspase-8 inhibitor benzyl (4S,7S,9Z,11aS)-7-ben... 2 0
Pol polyprotein inhibitor tert-butyl N-[(2S,3S,5R)-5-benzyl-3-... 3 0
Growth hormone-releasing hormone receptor ligand ethyl (1S)-1'... 4 7
Melanocyte-stimulating hormone receptor and Melanocortin recep... 3 16
Pol polyprotein inhibitor benzyl N-[(2S)-4-amino-1-[[(2S,3R)-4... 2 1
Muscarinic acetylcholine receptor M3 and Muscarinic acetylchol... 13 3
Beta-secretase 1 and Cathepsin B inhibitor SureCN4666465 family 9 4
Proteasome subunit beta type-5 and Proteasome subunit beta typ... 1 0
Renin inhibitor AGN-PC-076HPD family 1 0
Cysteine protease and Cruzipain inhibitor ethyl (2S,3R)-3-[(2S... 1 1
Pol polyprotein inhibitor SDZ PRI 053 family 8 1
Renin and Cathepsin D inhibitor ethyl (4S)-5-cyclohexyl-2,2-di... 2 0
Pol polyprotein inhibitor [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydr... 4 15
Pol polyprotein inhibitor AC1NS2O6 family 3 0
Pol polyprotein inhibitor AC1L9R8I family 1 0
Pol polyprotein inhibitor AC1L9R8M family 4 1
Protease inhibitor AC1O54RX family 2 4
Cathepsin S and Cathepsin L1 inhibitor benzyl N-[(2S)-1-oxo-1-... 2 2
Renin inhibitor 2-methylpropyl N-[1-[[1-[[(3R,4S)-1-cyclohexyl... 14 0
Pol polyprotein inhibitor (3S)-N-tert-butyl-2-[(2R)-2-[(3S,6S,... 3 1
Renin inhibitor tert-butyl N-[1-[[1-[[(2S,3R)-1-cyclohexyl-3-h... 2 0
Tryptase alpha/beta-1 and Tryptase delta inhibitor [4-[[2-[[4-... 2 1
Pol polyprotein inhibitor AC1LA3C0 family 2 18
Pol polyprotein inhibitor 4-benzyl-N-[(2S)-1-[[(2S,3R,4S,5S)-5... 3 0
Neutrophil collagenase and Matrix metalloproteinase-9 inhibito... 1 0
Pol polyprotein inhibitor Diol-Based HIV-1 protease inhibitor ... 1 0
Pol polyprotein inhibitor AC1LACBC family 2 0
Matrix metalloproteinase-9 and Stromelysin-1 inhibitor (2R,3R)... 1 0
Histone deacetylase 1 and Histone deacetylase 8 inhibitor meth... 1 3
C-C chemokine receptor type 5 ligand benzyl N-[1-[(4S)-4-(cycl... 1 0
Renin inhibitor (2S)-2-[(2S)-1-(azetidin-1-yl)-1-oxo-3-phenylp... 1 0
Substance-P receptor and Voltage-dependent L-type calcium chan... 1 0
Cathepsin D and Beta-secretase 1 inhibitor benzyl 3-[[(2R,3S)-... 1 0
Angiotensin-converting enzyme and Neprilysin inhibitor (2S)-2-... 1 0
Pol polyprotein and Pepsin A inhibitor cgp 53820 family 1 1
Pol polyprotein inhibitor methyl (2S)-2-[[(2R,4S,5S)-2-benzyl-... 1 1
Tissue alpha-L-fucosidase inhibitor AGN-PC-074YKC family 1 0
Cathepsin B inhibitor AC1LD7MA family 1 0
Gamma-secretase subunit PEN-2 inhibitor SureCN5966881 family 1 9
Dipeptidyl peptidase 4 and Dipeptidyl peptidase 8 inhibitor 1-... 1 0
Angiotensin-converting enzyme and Angiotensin-converting enzym... 1 0


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00319040 CHEMBL364569 Bioactive methyl 2-[[2-[[(2R,4S)-4-hydroxy-2-(2-methylpropyl)-6-phenyl-5-[2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoylamino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate
CFAMM00319053 CHEMBL52809 Bioactive benzyl N-[(2R)-3-methyl-1-[[(1S)-1-[(2R,3S)-3-[1-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]ethyl]oxiran-2-yl]-2-phenylethyl]amino]-1-oxobutan-2-yl]carbamate
CFAMM00319033 CHEMBL159300 Bioactive methyl (2S)-2-[[(2S)-2-[[(2R,5S)-2-benzyl-4-hydroxy-6-phenyl-5-[[(2S)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate
CFAMM00319046 CHEMBL321654 Bioactive (2R)-2-[[(2R)-2-[[(4S)-2-hydroxy-3-oxo-5-phenyl-4-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoic acid
CFAMM00319039 CHEMBL188203 Bioactive methyl 2-[[2-[[(2R,4S)-2-benzyl-4-hydroxy-6-phenyl-5-[2-(phenylmethoxycarbonylamino)propanoylamino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate
CFAMM00319052 CHEMBL109976 Bioactive benzyl N-[(2S)-1-[[(2S,3S,4R,5S)-3,4-dihydroxy-5-[[(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CFAMM00319032 CHEMBL289846 Bioactive A 75925
CFAMM00319051 CHEMBL55197 Bioactive benzyl N-[(2R)-3-methyl-1-[[(1S)-1-[(2R,3S)-3-[[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]methyl]oxiran-2-yl]-2-phenylethyl]amino]-1-oxobutan-2-yl]carbamate
CFAMM00319031 CHEMBL53106 Bioactive AGN-PC-0026XP
CFAMM00319037 CHEMBL112412 Bioactive benzyl N-[(2R)-1-[[(2S,3S,4S)-3-hydroxy-4-[[(2S)-3-methyl-2-(2-morpholin-4-ylethoxycarbonylamino)butanoyl]amino]-1,5-diphenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CFAMM00319050 CHEMBL429722 Bioactive benzyl N-[1-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CFAMM00319029 CHEMBL305458 Bioactive benzyl (2S)-2-[[(2R)-1-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-methyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]propanoate
CFAMM00319036 CHEMBL9544 Bioactive benzyl N-[1-[[(2S,3S,4S,5S)-3,4-dihydroxy-5-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CFAMM00319049 CHEMBL314758 Bioactive benzyl N-[(2S)-1-[[(2S,3S,4S,5S)-3,4-dihydroxy-5-[[(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CFAMM00319028 CHEMBL314298 Bioactive benzyl N-[(2R)-1-[[(2S,3S,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CFAMM00319042 CHEMBL56387 Bioactive benzyl N-[(2S)-1-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-[[(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CFAMM00319035 CHEMBL185681 Bioactive methyl 2-[[2-[[(2R,4S)-2-benzyl-4-hydroxy-6-phenyl-5-[2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoylamino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate
CFAMM00319048 CHEMBL186052 Bioactive methyl 2-[[2-[[(2R,4S)-4-hydroxy-2-(2-methylpropyl)-6-phenyl-5-[2-(phenylmethoxycarbonylamino)propanoylamino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate
CFAMM00319027 CHEMBL48565 Bioactive BzOCValPhe(diCHOH(RS))PheValBzOC
CFAMM00319034 CHEMBL83462 Bioactive benzyl N-[(2R)-1-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CFAMM00319047 CHEMBL9705 Bioactive benzyl N-[1-[[(2S,3S,4R,5S)-3,4-dihydroxy-5-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-1,6-diphenylhexan-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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