CFam Chemical Families Database
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You are searching for "CFAMM00371291" in compound.

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CFAM Mol ID CFAMM00371291
Family CFFBM6266 Integrin beta-1 and Integrin alpha-4 inhibitor SureCN6368512 family
Superfamily CFSBM3613 Integrin beta-1 and Integrin alpha-4 Binder Superfamily 4
Class CFCBM87 Class 3137
External ID CHEMBL393213 External Source CHEMBL
PubChem CID 23636254 Functional Category Bioactive
Molecule Name SureCN12084574
IUPAC Name (2S)-3-(benzylcarbamoylamino)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid
Synonyms prolyl-2,3-diaminopropionic acid (DAP) scaffold, 22
InChi InChI=1S/C22H24Cl2N4O6S/c23-15-9-16(24)11-17(10-15)35(33,34)28-8-4-7-19(28)20(29)27-18(21(30)31)13-26-22(32)25-12-14-5-2-1-3-6-14/h1-3,5-6,9-11,18-19H,4,7-8,12-13H2,(H,27,29)(H,30,31)(H2,25,26,32)/t18-,19-/m0/s1
InChiKey NYGQATJDYMZDLT-OALUTQOASA-N
Formula C22H24Cl2N4O6S Molecular Weight 543.42
Cross Link CHEMBL393213
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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