CFam Chemical Families Database
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You are searching for "CFAMM00183650" in compound.

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CFAM Mol ID CFAMM00183650
Family CFFID189 Integrin alpha-4 Inhibitor BIO-1211 Family
Superfamily CFSID153 Integrin alpha-4 Inhibitor BIO-1211 Superfamily
Class CFCID105 Class 1455
External ID CHEMBL6997 External Source CHEMBL
PubChem CID 10840230 Functional Category Bioactive
Molecule Name (2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-[(3-methylphenyl)carbamoylamino]-4-methylsulfanylbutanoyl]amino]pentanoyl]amino]-3-phenylpropanoic acid
IUPAC Name (2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-[(3-methylphenyl)carbamoylamino]-4-methylsulfanylbutanoyl]amino]pentanoyl]amino]-3-phenylpropanoic acid
Synonyms CHEBI:101868
InChi InChI=1S/C28H38N4O5S/c1-18(2)15-23(26(34)31-24(27(35)36)17-20-10-6-5-7-11-20)30-25(33)22(13-14-38-4)32-28(37)29-21-12-8-9-19(3)16-21/h5-12,16,18,22-24H,13-15,17H2,1-4H3,(H,30,33)(H,31,34)(H,35,36)(H2,29,32,37)/t22-,23-,24-/m0/s1
InChiKey OILUPETWJKBQOP-HJOGWXRNSA-N
Formula C28H38N4O5S Molecular Weight 542.69
Cross Link CHEMBL6997
Structure

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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