CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00220171" in compound.

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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.

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CFAM Mol ID CFAMM00220171
Family CFFID856 Cruzipain Inhibitor WRR-204 Family
Superfamily CFSID698 Cruzipain and Cathepsin S Binder Superfamily
Class CFCCD382 Class 1195
External ID CHEMBL161739 External Source CHEMBL
PubChem CID 11103527 Functional Category Bioactive
Molecule Name ethyl 3-[(3S)-3-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-oxo-4-phenylbutyl]sulfanylpropanoate
IUPAC Name ethyl 3-[(3S)-3-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-oxo-4-phenylbutyl]sulfanylpropanoate
Synonyms CHEBI:366184
InChi InChI=1S/C29H38N2O6S/c1-4-36-27(33)15-16-38-20-26(32)24(18-22-11-7-5-8-12-22)30-28(34)25(17-21(2)3)31-29(35)37-19-23-13-9-6-10-14-23/h5-14,21,24-25H,4,15-20H2,1-3H3,(H,30,34)(H,31,35)/t24-,25-/m0/s1
InChiKey MXWDMEMBQABHHQ-DQEYMECFSA-N
Formula C29H38N2O6S Molecular Weight 542.69
Cross Link CHEMBL161739
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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