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 CFFID3006
Family Name Caspase-4 and Cathepsin D Inhibitor Grassystatin A Family
No. of Seeds 24 No. of Other Members 6
Family Centroid CFAMM00281699 Functional Category Investigative Drug
Superfamily Beta-secretase 1 and Caspase-4 Binder Superfamily
Class Class 608

Cousin Family NamesSeedsMembers
Vasopressin V2 receptor ligand peptide analog Desmopressin family 111 1472
Trypsin inhibitor polypeptide Aprotinin Family 7 68
Vasopressin V1a receptor Ligand Felypressin Family 12 820
Oxytocin receptor Ligand Oxytocin Family 30 182
Penicillin binding protein inhibitor β-lactam aminopenicillin ... 12 359
Glucan synthesis regulatory protein Inhibitor Caspofungin Family 17 71
Angiotensin-converting enzyme inhibitor Dicarboxylate-containi... 16 374
Angiotensin-converting enzyme inhibitor Phosphonate-containing... 7 41
Angiotensin-converting enzyme Inhibitor Quinapril Family 3 105
Angiotensin-converting enzyme Inhibitor Spirapril Family 17 86
Angiotensin-converting enzyme inhibitor Dicarboxylate-containi... 7 54
ATP-sensitive inward rectifier potassium channel 10 Ligand Nat... 3 233
Growth hormone-releasing hormone receptor ligand polypeptide ... 14 34
Atrial natriuretic peptide receptor 1 Ligand Nesiritide Family 6 111
Bacterial outer membrane Inhibitor Polymyxin B Family 17 181
20S proteasome Inhibitor Carfilzomib Family 5 17
Thymopentin family 20 133
Puromycin-sensitive aminopeptidase Inhibitor CHR-2797 Family 1 2
Angiotensin-converting enzyme and Neprilysin Inhibitor M100,24... 18 60
Growth hormone secretagogue receptor type 1 Ligand TZP-101 Family 28 263
Dopamine reuptake Inhibitor Amineptine Family 2 5
Kappa-type opioid receptor Ligand Asimadoline Family 14 54
Thymosin Beta-4 family 8 30
Maraciclatide family 2 0
Plitidepsin family 15 5
Melanocortin receptor 4 Ligand Ro-27-3225 Family 6 52
Histone deacetylase 1 Inhibitor Chlamydocin Family 2 1
Dipeptidyl peptidase 4 Inhibitor Denagliptin Family 24 151
Flovagatran family 12 546
B1 bradykinin receptor Ligand B-9858 Family 4 14
B1 bradykinin receptor Ligand B-9958 Family 6 4
Neuropeptide Y receptor type 1 Ligand Bibp 3226 Family 43 80
Integrin alpha-V and Integrin beta-3 Inhibitor C[rgd-(s)-alpha... 19 95
Renin Inhibitor CP-80794 Family 16 112
Prothrombin Inhibitor Efegatran Family 9 47
Neprilysin Inhibitor Thiorphan Family 41 68
Vasopeptidase Inhibitor Sampatrilat Family 25 9
Neuromedin-K receptor Ligand Senktide Family 15 22
Cathepsin F and Cruzipain Inhibitor Benzoyl-arginine-alanine-m... 49 348
Cathepsin F and Cruzipain Inhibitor WRR-99 Family 13 131
Cathepsin F Inhibitor Benzoyl-tyrosine-alanine-methyl Ketone F... 34 55
Beta-secretase 1 Inhibitor MMI-175 Family 30 137
Integrin alpha-V and Integrin beta-3 Inhibitor Cyclo-[-arg-gly... 5 38
Proto-oncogene tyrosine-protein kinase Src Inhibitor Glu-pro-g... 8 4
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
Somatostatin receptor type 1 Ligand Des-aa1,2,5-[(nalphame)lys... 16 11
Integrin beta-3 Inhibitor DMP-728 Family 3 0
Plasmepsin-1 Inhibitor SC-5003 Family 93 173
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
Proto-oncogene tyrosine-protein kinase Src Inhibitor Ac-cys-il... 36 12
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
Chymase Inhibitor Chymostatin Family 2 3
Histone deacetylase 1 and Histone deacetylase 4 Inhibitor Azum... 3 10
Disks large homolog 4 Inhibitor N-(3,4-difluorophenyl)propyl-e... 3 0
Substance-P receptor Ligand [sar9,met(o2)11]-sp Family 34 9
Prothrombin Inhibitor Cyclotheonamide E5 Family 3 0
Integrin alpha-V Inhibitor C[rgdf-(3s)-carboxymorpholine] Family 10 2
Baculoviral IAP repeat-containing protein 3 and E3 ubiquitin-p... 44 28
Receptor-type tyrosine-protein phosphatase C Ligand Asp-brpmp-... 2 0
Endothelin-converting enzyme 1 Inhibitor PO3 2-leu-nal-o-3k Fa... 3 26
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
Delta-type opioid receptor and Mu-type opioid receptor Ligand ... 12 8
Genome polyprotein Inhibitor Acasp-glu-dif-glu-cha-cys Family 13 17
Genome polyprotein Inhibitor Acasp-glu-met-glu-cha-cys Family 3 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
Sodium-dependent dopamine transporter Inhibitor Bip-tyr-thr-pr... 8 2
Prolyl endopeptidase Inhibitor SUAM-1221 Family 42 47
Mu-type opioid receptor and Nociceptin receptor Ligand Nocicep... 35 5
Aminopeptidase N Inhibitor 2-cinnamamido-n4-hexyl-n1-hydroxysu... 24 8
Cholecystokinin receptor type A Ligand CR-1795 Family 19 41
Serine/threonine protein phosphatase PP1-alpha 1 catalytic sub... 10 0
Gamma-secretase subunit APH-1B and Presenilin-1 Inhibitor 3114... 8 9
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
Renin inhibitor (2S,4S,5S)-N-[3-[[amino-(cyanoamino)methyliden... 7 0
Pol polyprotein inhibitor (2S)-2-[[2-(2,5-dioxoimidazolidin-4-... 2 0
Pol polyprotein inhibitor benzyl N-[(2S,3R)-1-[[(2S,3R,4R)-4-(... 5 26
Pol polyprotein inhibitor penicillin deriv. 69 family 1 1
Beta-secretase 1 and Cathepsin D inhibitor (1R,3S)-N-[(2S,3S)-... 2 25
Pol polyprotein inhibitor benzyl N-[(2S)-1-[[(2S,3S,4R,5S)-3,4... 21 5
Tryptase alpha/beta-1 and Tryptase delta inhibitor (2S,3R)-3-[... 13 17
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
Carboxypeptidase B and Carboxypeptidase B2 inhibitor (2S)-7-am... 3 9
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
Glutamate receptor ionotropic, kainate 2 ligand (2S,3S,4S)-4-[... 14 2
NS3 and Non-structural protein 4A inhibitor (4S)-4-[[(2S)-3-ca... 1 1
Caspase-1 inhibitor (3S)-3-[[(2S)-4-(2-naphthalen-1-ylethylami... 1 0
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
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
Renin inhibitor [(2R)-1-[[(2S,3S,5R)-6-(butylamino)-1-cyclohex... 5 4
Integrin beta-3 and Integrin alpha-IIb inhibitor (3R)-5-phenyl... 4 1
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 collagenase and Matrix metalloproteinase-9 inhibito... 6 1
Growth factor receptor-bound protein 2 ligand 2-[(9S,10S,11E,1... 5 14
Chymase and Chymotrypsinogen A inhibitor tert-butyl N-[(2S)-1-... 2 7
Renin and Cathepsin D inhibitor tert-butyl N-[(2S)-1-[[(2S)-1-... 3 4
Tryptase alpha/beta-1 inhibitor methyl 3-[3-(aminomethyl)pheny... 1 3
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
Beta-secretase 1 inhibitor (2S)-2-[(3S)-3-acetamido-3-butan-2-... 3 3
Beta-secretase 1 inhibitor (2S)-2-[(3R)-3-acetamido-3-(2-methy... 3 0
Beta-secretase 1 inhibitor (2S)-2-[(3S)-3-acetamido-3-butan-2-... 6 11
Beta-secretase 1 inhibitor (2S)-2-[(3S)-3-acetamido-3-butan-2-... 4 6
Pol polyprotein inhibitor tert-butyl N-[(2S,3S,5R)-5-benzyl-3-... 3 0
Pol polyprotein inhibitor benzyl N-[(2S)-4-amino-1-[[(2S,3R)-4... 2 1
Muscarinic acetylcholine receptor M3 and Muscarinic acetylchol... 13 3
Integrin beta-3 and Integrin alpha-V inhibitor 2-[(1R,5S,11S,1... 8 2
Renin inhibitor N-[(3S)-5-[2-(2-aminoethyl)morpholin-4-yl]-1-c... 4 2
Proteasome subunit beta type-5 and Proteasome subunit beta typ... 1 0
Neprilysin and Angiotensin-converting enzyme inhibitor (2S)-2-... 5 3
Beta-secretase 1 and Cathepsin D inhibitor (4S)-N-[(2S,3R)-4-[... 3 0
Renin inhibitor 2-hydroxy-3-[[(4S,7S)-5-hydroxy-2,8-dimethyl-7... 1 0
Cathepsin E and Renin inhibitor (2S)-N-[2-[[(2S,3S,5S)-1-cyclo... 4 0
Renin and Cathepsin D inhibitor (4S)-5-cyclohexyl-2,2-difluoro... 15 0
Renin and Cathepsin D inhibitor ethyl (4S)-5-cyclohexyl-2,2-di... 2 0
Angiotensin-converting enzyme inhibitor (2S,4R)-1-[(2S)-6-amin... 3 1
Renin and Cathepsin D inhibitor N-[(2S)-1-[[(2S)-1-[[(2S)-1-cy... 2 0
Integrin beta-3 and Integrin alpha-IIb inhibitor (3R,6S,12S)-6... 7 0
Pol polyprotein inhibitor AC1L9R8I family 1 0
Prolyl endopeptidase inhibitor ethyl 2-oxo-2-[(2S)-1-[(2S)-1-(... 1 1
72 kDa type IV collagenase and Stromelysin-1 inhibitor (2R)-N-... 10 0
Renin inhibitor 2-methylpropyl N-[1-[[1-[[(3R,4S)-1-cyclohexyl... 14 0
Renin inhibitor tert-butyl N-[1-[[1-[[(2S,3R)-1-cyclohexyl-3-h... 2 0
Pol polyprotein inhibitor AC1LA3C0 family 2 18
Pol polyprotein inhibitor 4-benzyl-N-[(2S)-1-[[(2S,3R,4S,5S)-5... 3 0
Pol polyprotein inhibitor Diol-Based HIV-1 protease inhibitor ... 1 0
Pepsin A and Renin inhibitor N-[(3R)-1-[[(1S)-1-hydroxy-3-[[(2... 1 0
Renin inhibitor N-[(2S)-1-[[(2R)-1-[[(2S)-3-cyclohexyl-1-dimet... 3 1
Pol polyprotein inhibitor AC1LACBC family 2 0
Matrix metalloproteinase-9 and Stromelysin-1 inhibitor (2R,3R)... 1 0
Serine/threonine-protein kinase mTOR and Peptidyl-prolyl cis-t... 1 0
Histone deacetylase 1 and Histone deacetylase 8 inhibitor meth... 1 3
Angiotensin-converting enzyme inhibitor SureCN7263641 family 2 11
Renin inhibitor (2S)-2-[(2S)-1-(azetidin-1-yl)-1-oxo-3-phenylp... 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
Ribonucleoside-diphosphate reductase large subunit and Ribonuc... 1 0
Gamma-secretase subunit PEN-2 inhibitor SureCN5966881 family 1 9
Beta-secretase 1 inhibitor 3-[[[(2S)-2-[[(3S,4S)-3-hydroxy-6-m... 2 4
Breast cancer type 1 susceptibility protein inhibitor (2S)-2-[... 1 0
Beta-secretase 1 inhibitor (2R)-4-amino-2-[[(2S)-2-[[(2S)-2-[[... 2 1
NS3 inhibitor 6-[[(2S)-1-[[(2S)-1-[(2S)-2-[[1-(cyclopropylamin... 2 0
Bcl-2-like protein 1 inhibitor CHEMBL501005 family 2 2
Integrin beta-1 and Integrin alpha-4 inhibitor (3S,6R,11R,14S)... 2 0
Gag-Pro polyprotein inhibitor (4S)-3-[(2S,3S)-3-[[(2S,3S)-2-[[... 4 0
Pol polyprotein inhibitor AC1LA6OP family 2 0
(2S)-2-[(3aR,6aS)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,... 1 0
Putative NP ZINC08790318 Family 1 0
4-[[[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pheny... 1 0


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00281704 CHEMBL1790873 Bioactive methyl (2S)-2-[[(2S,3R)-2-[[1-[(2R,3S)-3-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoate
CFAMM00281697 CHEMBL1793802 Bioactive AUREOBASIDIN A
CFAMM00281710 CHEMBL432614 Bioactive JG 365
CFAMM00281703 CHEMBL1790875 Bioactive methyl (2S)-2-[[(2S,3R)-2-[[1-[(2R,3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoate
CFAMM00281696 CHEMBL311736 Bioactive methyl (2S)-2-[[(2S,3S)-2-[[1-[(2R,3R)-3-[[2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoate
CFAMM00281709 CHEMBL77671 Bioactive U-84645E
CFAMM00281689 CHEMBL1790885 Bioactive methyl (2S)-2-[[(2S,3R)-2-[[1-[(2R,3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-4-phenylbutanoate
CFAMM00281702 CHEMBL1790874 Bioactive methyl (2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2R,3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoate
CFAMM00281708 CHEMBL279245 Bioactive AGN-PC-002WZG
CFAMM00281688 CHEMBL283958 Bioactive methyl 2-[[2-[[(2S)-1-[(3R)-3-[[2-[[(2S)-2-[(2-acetamido-3-hydroxypropanoyl)amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoate
CFAMM00281701 CHEMBL426344 Bioactive (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoic acid
CFAMM00281707 CHEMBL156558 Bioactive methyl (2S)-2-[[(2S)-2-[[4-[4-[[(2S)-2-[[(2S)-1-(4-aminobutanoyl)pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]butanoylamino]-3-hydroxy-6-methylheptanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoate
CFAMM00281687 CHEMBL568553 Bioactive Grassystatin B
CFAMM00281700 CHEMBL134160 Bioactive methyl (2S)-2-[[(2S)-2-[[(2S)-1-[(2R,3S)-3-[[(2S)-2-[[(2S)-2-[(2-acetamido-3-hydroxypropanoyl)amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoate
CFAMM00281692 CHEMBL109500 Bioactive Alap-hea-piv
CFAMM00281705 CHEMBL1790871 Bioactive methyl (2S)-2-[[(2S,3R)-2-[[1-[(2R,3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoate
CFAMM00281698 CHEMBL21001 Bioactive methyl 2-[[2-[[(2S)-1-[(2R,3R)-3-[[2-[[(2S)-2-[(2-acetamido-3-hydroxypropanoyl)amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoate
CFAMM00281711 CHEMBL539241 Bioactive methyl 7-amino-3-[[(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-2-hydroxy-2-methoxyheptanoate;dihydrochloride
CFAMM00281691 CHEMBL2369944 Bioactive methyl (2S)-2-[[(2S,3S)-2-[[(2R)-1-[(2R,3R)-3-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoate
CFAMM00281699 DNC010158 Investigative Drug GRASSYSTATIN A

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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