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 CFFID2860
Family Name Integrin alpha-V Inhibitor C[rgdf-(3s)-carboxymorpholine] Family
No. of Seeds 10 No. of Other Members 2
Family Centroid CFAMM00278017 Functional Category Investigative Drug
Superfamily Integrin alpha-V and Integrin beta-3 Binder Superfamily
Class Class 260

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
Alpha-1B adrenergic receptor Ligand Lisdexamfetamine Family 14 443
Angiotensin-converting enzyme inhibitor Dicarboxylate-containi... 16 374
Angiotensin-converting enzyme inhibitor Phosphonate-containing... 7 41
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
Thymopentin family 20 133
B2 bradykinin receptor Ligand Icatibant Family 9 27
Angiotensin-converting enzyme and Neprilysin Inhibitor M100,24... 18 60
Thymosin Beta-4 family 8 30
Maraciclatide family 2 0
Plitidepsin family 15 5
Melanocortin receptor 4 Ligand Ro-27-3225 Family 6 52
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-4 Inhibitor BIO-1211 Family 16 83
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 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
Integrin beta-3 Inhibitor SKF-107260 Family 5 8
Neuromedin-K receptor Ligand PD-160946 Family 10 32
Nociceptin receptor Ligand Fggftgcrkscrk Family 10 0
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
Cathepsin B and Cathepsin S Inhibitor Ac-hphe-leu-ala-leuvsme ... 17 51
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
Delta-type opioid receptor and Kappa-type opioid receptor Liga... 3 21
Delta-type opioid receptor Ligand H-cxp-ala-gly-phe-leu-oh Family 1 8
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
Caspase-4 and Cathepsin D Inhibitor Grassystatin A Family 24 6
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
Melanocortin receptor 4 and Melanocyte-stimulating hormone rec... 3 10
Renin inhibitor (2S,4S,5S)-N-butyl-6-cyclohexyl-4-hydroxy-5-[[... 12 1
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
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
Tryptase alpha/beta-1 and Tryptase delta inhibitor (2S,3R)-1-b... 3 4
Renin and Cathepsin D inhibitor (2S)-N-[(2S,3R,4S)-1-cyclohexy... 13 2
Carboxypeptidase B and Carboxypeptidase B2 inhibitor (2S)-7-am... 3 9
Renin inhibitor tert-butyl N-[1-[[(3S,6S,7R)-6-(cyclohexylmeth... 14 1
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
Renin and Cathepsin D inhibitor (3S)-4-[[6-acetamido-2-[[3-nap... 6 26
Pol polyprotein inhibitor Lysine Sulfonamide 11c family 3 73
Integrin beta-3 and Integrin alpha-IIb inhibitor (3R)-5-phenyl... 4 1
Neprilysin inhibitor (2S)-2-methyl-3-oxo-3-[[(2S)-1-phenyl-3-s... 5 2
Neutrophil collagenase and Matrix metalloproteinase-9 inhibito... 6 1
Growth factor receptor-bound protein 2 ligand 2-[(9S,10S,11E,1... 5 14
Tryptase alpha/beta-1 inhibitor methyl 3-[3-(aminomethyl)pheny... 1 3
Renin and Cathepsin D inhibitor (4S)-5-cyclohexyl-2,2-difluoro... 16 1
Pol polyprotein inhibitor AC1LADQG family 7 1
Protein farnesyltransferase/geranylgeranyltransferase type-1 s... 2 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-... 6 11
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
B2 bradykinin receptor ligand (2S)-2-[[(2S,3aS,7aS)-1-[(2R,4S)... 1 0
Integrin beta-3 and Integrin alpha-IIb inhibitor (2S)-5-(diami... 2 0
Integrin alpha-V and Integrin beta-5 inhibitor 2-[(2S,5R,8S,11... 2 1
Renin inhibitor 2-hydroxy-3-[[(4S,7S)-5-hydroxy-2,8-dimethyl-7... 1 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
Renin inhibitor 2-methylpropyl N-[1-[[1-[[(3R,4S)-1-cyclohexyl... 14 0
Coagulation factor X inhibitor ethyl 2-[[(3S)-3-[[2-[[(2R)-2-(... 4 0
Renin inhibitor tert-butyl N-[1-[[1-[[(2S,3R)-1-cyclohexyl-3-h... 2 0
Pol polyprotein inhibitor AC1LA3C0 family 2 18
Prothrombin inhibitor 2-[(3R)-3-amino-3-benzyl-2-oxopiperidin-... 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
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
Protein farnesyltransferase/geranylgeranyltransferase type-1 s... 1 6
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
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
Prothrombin and Trypsin-1 inhibitor 4-[2-[1-[(2R)-2-amino-3-ph... 1 0
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
4'-phosphopantetheinyl transferase ffp and Beta-lactamase inhi... 1 0
Neuraminidase inhibitor AC1NQT84 family 2 0
tanedioate NP ZINC08790785 Family 6 0


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00278019 CHEMBL2369776 Bioactive 2-[(8S,11S,14S,20S)-2,20-diamino-8-benzyl-11-(hydroxymethyl)-4,7,10,13,16,19-hexaoxo-1,3,6,9,12,15,18-heptazacyclotricosen-14-yl]acetic acid
CFAMM00278012 CHEMBL165488 Bioactive (3R,4R,7S,13S,16R)-16-acetamido-7-(carboxymethyl)-13-[3-(diaminomethylideneamino)propyl]-14-methyl-6,9,12,15-tetraoxo-3-phenyl-1,2-dithia-5,8,11,14-tetrazacycloheptadecane-4-carboxylic acid
CFAMM00278016 CHEMBL414293 Bioactive (4S,7S,13S,16S,19S,22S,25S,34S,37S)-37-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-34-benzyl-13,22-bis[(2S)-butan-2-yl]-19-(carboxymethyl)-16,25-bis[3-(diaminomethylideneamino)propyl]-7-methyl-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacontane-4-carboxylic acid
CFAMM00278023 CHEMBL407614 Bioactive (2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoic acid
CFAMM00278015 CHEMBL264744 Bioactive (4S,10S,16S,19S,22S,28S,31S,34S,37S,40S,49S,52S)-52-amino-19-(3-amino-3-oxopropyl)-49-benzyl-28,37-bis[(2S)-butan-2-yl]-34-(carboxymethyl)-31-[3-(diaminomethylideneamino)propyl]-16-(hydroxymethyl)-22,40-dimethyl-10-(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecazacyclotripentacontane-4-carboxylic acid
CFAMM00278021 CHEMBL410648 Bioactive (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]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
CFAMM00278020 CHEMBL339591 Bioactive (3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[3-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-propylamino]-4-methylpentan-2-yl]amino]-3-oxopropyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CFAMM00278013 CHEMBL411542 Bioactive CHEMBL411542
CFAMM00278018 DNC009677 Investigative Drug c[RGDf-(3R)-Carboxymorpholine]
CFAMM00278017 DNC009676 Investigative Drug c[RGDf-(3S)-Carboxymorpholine]

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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