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 CFFID65
Family Name Flovagatran family
No. of Seeds 12 No. of Other Members 546
Family Centroid CFAMM00177803 Functional Category Investigative Drug with Natural Product
Superfamily Cathepsin B and Cathepsin L1 Binder Superfamily
Class Class 610

Cousin Family NamesSeedsMembers
Vasopressin V2 receptor ligand peptide analog Desmopressin family 111 1472
Sodium-dependent dopamine transporter inhibitor substituted ph... 22 416
Oxytocin receptor Ligand Oxytocin Family 30 182
Sodium channel protein type 5 subunit alpha Ligand Hexylcaine ... 4 94
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 Spirapril Family 17 86
ATP-sensitive inward rectifier potassium channel 10 Ligand Nat... 3 233
Mu-type opioid receptor Ligand Alvimopan Family 32 325
Bacterial outer membrane Inhibitor Polymyxin B Family 17 181
Thymopentin family 20 133
Growth hormone secretagogue receptor type 1 Ligand TZP-101 Family 28 263
Plitidepsin family 15 5
Neuropeptide Y receptor type 1 Ligand Bibp 3226 Family 43 80
Renin Inhibitor CP-80794 Family 16 112
Prothrombin Inhibitor Efegatran Family 9 47
Vasopeptidase Inhibitor Sampatrilat Family 25 9
Neuromedin-K receptor Ligand Senktide Family 15 22
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
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
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
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 K Inhibitor (s)-1-benzylcyclopentyl ... 11 5
Cathepsin B and Cathepsin S Inhibitor Cbz-ile-leu-ala-leuvsme ... 12 14
Proto-oncogene tyrosine-protein kinase Src Inhibitor Ac-cys-il... 36 12
Mu-type opioid receptor and Nociceptin receptor Ligand Ac-ryyr... 60 11
C-X-C chemokine receptor type 4 Ligand Cyclo(-d-tyr-l-ala-l-ar... 25 23
Prothrombin Inhibitor Cyclotheonamide E5 Family 3 0
Integrin alpha-V Inhibitor C[rgdf-(3s)-carboxymorpholine] Family 10 2
Caspase-4 and Cathepsin D Inhibitor Grassystatin A Family 24 6
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-cha-val-prb-cys Family 13 18
Delta-type opioid receptor and Mu-type opioid receptor Ligand ... 152 36
Glutamate receptor ionotropic, NMDA 2A and Glutamate receptor ... 1 24
Sodium-dependent dopamine transporter Inhibitor Bip-tyr-thr-pr... 8 2
Delta-type opioid receptor and Kappa-type opioid receptor Liga... 48 10
Mu-type opioid receptor and Nociceptin receptor Ligand Nocicep... 35 5
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 benzyl N-[3-[[(2S,4S,5S)-6-cyclohexyl-4-hydrox... 2 0
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
Cathepsin S inhibitor ethyl 2-[[3-[[(2S)-3-cyclohexyl-2-[(1-me... 3 8
Cathepsin K inhibitor [(3S)-4,4-dimethyl-2-oxo-1-(2-phenylethy... 7 9
Neutrophil elastase inhibitor phenyl N-[(2S)-1-[(2S)-2-[[(3S)-... 10 4
Cathepsin S inhibitor SureCN6857538 family 2 12
Cathepsin S inhibitor ethyl 2-[[3-[[(2S)-3-cyclohexyl-2-[(4-me... 2 9
Prolyl endopeptidase and Chymotrypsin-like elastase family mem... 3 9
Pol polyprotein inhibitor benzyl N-[(2S)-1-[[(2S,3S,4R,5S)-3,4... 21 5
Neutrophil elastase inhibitor benzyl N-[2-(4-aminophenyl)-6-ox... 4 23
Neprilysin and Angiotensin-converting enzyme inhibitor AGN-PC-... 2 2
Renin and Cathepsin D inhibitor (2S)-N-[(2S,3R,4S)-1-cyclohexy... 13 2
Neutrophil elastase inhibitor SureCN7276766 family 3 6
Neutrophil elastase inhibitor SureCN7276506 family 2 7
Neutrophil elastase and Chymotrypsin-C inhibitor benzyl N-[6-(... 3 6
Cathepsin K and Cathepsin L1 inhibitor benzyl N-[(2S)-1-oxo-3-... 1 0
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
Cathepsin L1 and Cathepsin K inhibitor benzyl N-[(2S)-3-(3-flu... 2 3
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
Peptidyl-prolyl cis-trans isomerase FKBP1A and Peptidyl-prolyl... 4 27
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
Pol polyprotein inhibitor AC1LA6RA family 4 12
Cathepsin S inhibitor SureCN7397817 family 9 4
Pol polyprotein inhibitor benzyl N-[(2S,3R)-4-[(3aR,6S,7aS)-6-... 3 2
Prolyl endopeptidase inhibitor benzyl (1R,2S)-2-[(2S)-2-formyl... 2 2
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
Neutrophil elastase inhibitor benzyl N-[(2S)-3-methyl-1-[(2S)-... 2 0
Pol polyprotein inhibitor Sulfone deriv. 31 family 15 4
Pol polyprotein inhibitor AC1LADQG family 7 1
Pol polyprotein inhibitor methyl (2S)-2-[[(2S,3R)-2-[[1-[(2R,3... 1 0
Melanin-concentrating hormone receptor 1 ligand SureCN7463098 ... 1 0
Caspase-8 and Caspase-9 inhibitor 3-[[(2S)-2-[(2,4-dichlorophe... 1 0
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
Melanin-concentrating hormone receptor 1 and Alpha-1A adrenerg... 4 6
Growth hormone-releasing hormone receptor ligand ethyl (1S)-1'... 4 7
Pol polyprotein inhibitor benzyl N-[(2S)-4-amino-1-[[(2S,3R)-4... 2 1
Cathepsin S inhibitor (2R)-N-[(1R)-2-[(4-chlorophenyl)methoxy]... 2 0
Proteasome subunit beta type-5 and Proteasome subunit beta typ... 1 0
Neutrophil elastase inhibitor 1-O-benzyl 4-O-ethyl (3aS,6R,6aR... 3 4
Renin inhibitor AGN-PC-076HPD family 1 0
Cysteine protease and Cruzipain inhibitor ethyl (2S,3R)-3-[(2S... 1 1
Calpain-2 catalytic subunit and Calpain-1 catalytic subunit in... 1 0
Neutrophil elastase inhibitor SureCN7273831 family 2 2
Neprilysin inhibitor benzyl (2S)-2-[[2-(sulfanylmethyl)-3,4-di... 4 0
Pol polyprotein inhibitor AC1NS2O6 family 3 0
Pol polyprotein inhibitor AC1L9R8I family 1 0
Protease inhibitor AC1O54RX family 2 4
Prothrombin inhibitor (2S,4R)-1-[(2R)-2-amino-3-phenylpropanoy... 4 4
Cathepsin S and Cathepsin L1 inhibitor benzyl N-[(2S)-1-oxo-1-... 2 2
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
Neutrophil collagenase and Matrix metalloproteinase-9 inhibito... 1 0
Pol polyprotein inhibitor Diol-Based HIV-1 protease inhibitor ... 1 0
C-C chemokine receptor type 5 ligand AC1LAKN8 family 4 5
Pol polyprotein inhibitor AC1LACBC family 2 0
Matrix metalloproteinase-9 and Stromelysin-1 inhibitor (2R,3R)... 1 0
Vasopressin V1a receptor ligand benzyl 4,4-dimethyl-3-oxo-2-[(... 2 5
Neutrophil elastase inhibitor 4-[(E)-3-[[(2S)-3-methyl-1-oxo-1... 2 6
C-C chemokine receptor type 5 ligand benzyl N-[1-[(4S)-4-(cycl... 1 0
Melanin-concentrating hormone receptor 1 ligand 2-(3,4-difluor... 4 0
Cathepsin D and Beta-secretase 1 inhibitor benzyl 3-[[(2R,3S)-... 1 0
Angiotensin-converting enzyme and Neprilysin inhibitor (2S)-2-... 1 0
Legumain-like protease inhibitor tert-butyl 4-[[(2R)-1-[[(2S)-... 2 1
Calpain-1 catalytic subunit and Cathepsin B inhibitor (2R)-N-[... 2 2
Pol polyprotein inhibitor methyl (2S)-2-[[(2R,4S,5S)-2-benzyl-... 1 1
Solute carrier family 12 member 5 inhibitor AGN-PC-07ZCLM family 1 12
Tissue alpha-L-fucosidase inhibitor AGN-PC-074YKC family 1 0
Cathepsin B inhibitor AC1LD7MA family 1 0
Beta-lactamase inhibitor SureCN7195773 family 1 0
Urokinase-type plasminogen activator and Plasminogen inhibitor... 2 1
Gamma-secretase subunit PEN-2 inhibitor SureCN5966881 family 1 9
Breast cancer type 1 susceptibility protein inhibitor (2S)-2-[... 1 0
Disintegrin and metalloproteinase domain-containing protein 10... 1 0
Dipeptidyl peptidase 4 and Dipeptidyl peptidase 8 inhibitor 1-... 1 0
Cathepsin B and Cathepsin L1 inhibitor benzyl (2S)-2-benzyl-3-... 1 0
Integrin beta-1 and Integrin alpha-4 inhibitor (2S)-2-[[(2S)-1... 1 0
Angiotensin-converting enzyme and Angiotensin-converting enzym... 1 0
Caspase-1 inhibitor benzyl N-[(3R,6S,9aR)-3-[[(3S)-2-hydroxy-5... 1 0
(4R,5S)-4-methyl-5-phenyl-1,3-oxazolidin-2-one NP (4r,5s)-4-me... 1 4
pyrrolidine-1,2-dicarboxylate NP ZINC04028685 Family 2 3
Putative NP ZINC16043224 Family 4 1
NP (3r,7r,8as)-3-benzyl-1,4-dioxooctahydropyrrolo[1,2-a]pyrazi... 2 3


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00177629 CHEMBL348842 Bioactive pyrrolidinone analogue, 25
CFAMM00177690 CHEMBL169887 Bioactive benzyl N-[(2S)-3-methyl-1-[(2S)-2-[[(3S)-2-methyl-4,5-dioxononan-3-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
CFAMM00177755 CHEMBL29483 Bioactive benzyl N-[(2S)-4-methyl-1-[3-[[(2R)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-oxopyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate
CFAMM00177680 CHEMBL100563 Bioactive pyrrolidinone analogue, 24
CFAMM00178156 CHEMBL115734 Bioactive SureCN7439472
CFAMM00177701 CHEMBL332025 Bioactive benzyl N-[1-oxo-1-[[(5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-6-yl]amino]-3-phenylpropan-2-yl]carbamate
CFAMM00177914 CHEMBL282447 Bioactive benzyl N-[(2S)-1-[[(2S)-4-[(2R)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CFAMM00177739 CHEMBL263665 Bioactive benzyl N-[(2S)-4-amino-1-[[(2S,3S)-4-[2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate
CFAMM00177839 CHEMBL336796 Bioactive benzyl N-[1-[[(2S,3S)-4-[2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CFAMM00177912 CHEMBL131548 Bioactive benzyl N-[(2S)-1-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamate
CFAMM00177718 CHEMBL2115242 Bioactive (2S)-2-[[(2S)-1-[2-[2-[hydroxy-[(1S)-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]ethylamino]acetyl]pyrrolidine-2-carbonyl]amino]hexanoic acid
CFAMM00177803 DND000044 Investigative Drug Flovagatran

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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