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 CFFBM69
Family Name Integrin beta-1 and Integrin alpha-4 inhibitor (2S)-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[[2-(methylamino)-3,4-dioxocyclobuten-1-yl]amino]propanoic acid family
No. of Seeds 28 No. of Other Members 18
Family Centroid CFAMM00306656 Functional Category Bioactive
Superfamily Integrin beta-1 and Integrin alpha-4 Binder Superfamily
Class Class 3069

Cousin Family NamesSeedsMembers
Peptide deformylase, mitochondrial inhibitor folic acid analog... 59 98
Integrin beta-3 Inhibitor Elarofiban Family 28 45
Integrin beta-1 and Integrin alpha-4 Inhibitor MK-0668 Family 46 20
Cholecystokinin receptor type A ligand A-65186 family 2 6
Integrin beta-1 and Integrin alpha-4 inhibitor (2S)-3-[4-[(2,6... 3 14
Integrin beta-1 and Integrin alpha-4 inhibitor (Z)-2-[[(4S)-3-... 2 1
Integrin beta-1 and Integrin alpha-5 inhibitor (2S)-2-[(2,6-di... 6 5
Aurora kinase A inhibitor Bisanilinopyrimidine, 6j family 2 1
Integrin beta-1 and Integrin alpha-4 inhibitor (2S)-2-[(3,5-di... 1 1
Integrin beta-1 and Integrin alpha-4 inhibitor SureCN5368289 f... 4 5
Integrin beta-1 and Integrin alpha-4 inhibitor (2S)-3-[4-[(3,5... 1 0
Integrin beta-1 and Integrin alpha-4 inhibitor (2S)-2-[(1-benz... 2 1
Integrin beta-1 and Integrin alpha-4 inhibitor SureCN5370042 f... 8 0
Integrin beta-1 and Integrin alpha-4 inhibitor SureCN5367895 f... 3 0
Integrin beta-1 and Integrin alpha-5 inhibitor 2-[(2,6-dimethy... 9 1
Integrin beta-1 and Integrin alpha-4 inhibitor (2S)-3-[4-[(2,6... 1 1


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00306694 CHEMBL9348 Bioactive (2S)-2-[[2-(butylamino)-3,4-dioxocyclobuten-1-yl]amino]-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoic acid
CFAMM00306661 CHEMBL9572 Bioactive (2S)-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[[2-(ethylamino)-3,4-dioxocyclobuten-1-yl]amino]propanoic acid
CFAMM00306674 CHEMBL9682 Bioactive (2S)-2-[[2-(cyclobutylamino)-3,4-dioxocyclobuten-1-yl]amino]-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoic acid
CFAMM00306687 CHEMBL9651 Bioactive (2S)-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[[2-[ethyl(methyl)amino]-3,4-dioxocyclobuten-1-yl]amino]propanoic acid
CFAMM00306680 CHEMBL290466 Bioactive (2S)-2-[(3,5-dichloropyridine-4-carbonyl)amino]-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoic acid
CFAMM00306654 CHEMBL268014 Bioactive (2S)-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[[3,4-dioxo-2-(propylamino)cyclobuten-1-yl]amino]propanoic acid
CFAMM00306667 CHEMBL267730 Bioactive (2S)-2-[[2-(dibutylamino)-3,4-dioxocyclobuten-1-yl]amino]-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoic acid
CFAMM00306693 CHEMBL9349 Bioactive (2S)-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[[3,4-dioxo-2-(4,4,4-trifluorobutylamino)cyclobuten-1-yl]amino]propanoic acid
CFAMM00306686 CHEMBL9476 Bioactive (2S)-2-[[2-(butan-2-ylamino)-3,4-dioxocyclobuten-1-yl]amino]-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoic acid
CFAMM00306699 CHEMBL9855 Bioactive (2S)-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[[2-[methyl(propyl)amino]-3,4-dioxocyclobuten-1-yl]amino]propanoic acid
CFAMM00306666 CHEMBL9332 Bioactive (2S)-2-[[2-(cyclopropylamino)-3,4-dioxocyclobuten-1-yl]amino]-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoic acid
CFAMM00306679 CHEMBL275055 Bioactive (2S)-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[[3,4-dioxo-2-(pentylamino)cyclobuten-1-yl]amino]propanoic acid
CFAMM00306692 CHEMBL10107 Bioactive (2S)-2-[[2-(benzylamino)-3,4-dioxocyclobuten-1-yl]amino]-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoic acid
CFAMM00306659 CHEMBL415966 Bioactive (2S)-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[[3,4-dioxo-2-(propan-2-ylamino)cyclobuten-1-yl]amino]propanoic acid
CFAMM00306685 CHEMBL9222 Bioactive (2S)-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[[2-(2-methoxyethylamino)-3,4-dioxocyclobuten-1-yl]amino]propanoic acid
CFAMM00306665 CHEMBL9554 Bioactive (2S)-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[[2-(diethylamino)-3,4-dioxocyclobuten-1-yl]amino]propanoic acid
CFAMM00306691 CHEMBL9614 Bioactive (2S)-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[[3,4-dioxo-2-(pentan-2-ylamino)cyclobuten-1-yl]amino]propanoic acid
CFAMM00306658 CHEMBL9110 Bioactive (2S)-2-[[2-(cyclopentylamino)-3,4-dioxocyclobuten-1-yl]amino]-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoic acid
CFAMM00306671 CHEMBL273290 Bioactive (2S)-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[[2-(dimethylamino)-3,4-dioxocyclobuten-1-yl]amino]propanoic acid
CFAMM00306697 CHEMBL274105 Bioactive (2S)-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[(3,4-dioxo-2-thiomorpholin-4-ylcyclobuten-1-yl)amino]propanoic acid
CFAMM00306664 CHEMBL9866 Bioactive (2S)-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[(3,4-dioxo-2-piperazin-1-ylcyclobuten-1-yl)amino]propanoic acid
CFAMM00306696 CHEMBL273622 Bioactive (2S)-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[[2-(4-ethylpiperazin-1-yl)-3,4-dioxocyclobuten-1-yl]amino]propanoic acid
CFAMM00306676 CHEMBL428493 Bioactive (2S)-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[[2-(2-methylpropylamino)-3,4-dioxocyclobuten-1-yl]amino]propanoic acid
CFAMM00306689 CHEMBL9610 Bioactive (2S)-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)amino]propanoic acid
CFAMM00306663 CHEMBL9891 Bioactive (2S)-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[[3,4-dioxo-2-(prop-2-enylamino)cyclobuten-1-yl]amino]propanoic acid
CFAMM00306656 CHEMBL268013 Bioactive (2S)-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[[2-(methylamino)-3,4-dioxocyclobuten-1-yl]amino]propanoic acid
CFAMM00306695 CHEMBL274390 Bioactive (2S)-2-[[2-(tert-butylamino)-3,4-dioxocyclobuten-1-yl]amino]-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoic acid
CFAMM00306655 CHEMBL9739 Bioactive (2S)-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[(2-morpholin-4-yl-3,4-dioxocyclobuten-1-yl)amino]propanoic acid

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
 

 

45884 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