CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00375657" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00375657
Family CFFBM6910 Dipeptidyl peptidase 4 inhibitor SureCN1499864 family
Superfamily CFSBM3955 Caspase-3 and Pol polyprotein Binder Superfamily
Class CFCID714 Class 2064
External ID CHEMBL1683641 External Source CHEMBL
PubChem CID 25057136 Functional Category Bioactive
Molecule Name SureCN8166672
IUPAC Name ethyl (2S)-2-[4-[[[(2S)-3-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,3-thiazolidine-2-carbonyl]amino]methyl]anilino]-3-methylbutanoate
Synonyms CHEBI:1173777
InChi InChI=1S/C28H35F3N4O4S/c1-4-39-28(38)25(16(2)3)34-20-7-5-17(6-8-20)15-33-26(37)27-35(9-10-40-27)24(36)13-19(32)11-18-12-22(30)23(31)14-21(18)29/h5-8,12,14,16,19,25,27,34H,4,9-11,13,15,32H2,1-3H3,(H,33,37)/t19-,25+,27+/m1/s1
InChiKey YXBDCYDMXMSFAK-KAZGAHJFSA-N
Formula C28H35F3N4O4S Molecular Weight 580.66
Cross Link CHEMBL1683641
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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