CFam Chemical Families Database
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You are searching for "CFAMM00234140" in compound.

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CFAM Mol ID CFAMM00234140
Family CFFID1277 Cathepsin B and Cathepsin K Inhibitor Z-ala-leu-lle-agly-ile-val-ome Family
Superfamily CFSID1020 Cathepsin B and Cathepsin K Binder Superfamily
Class CFCID697 Class 2047
External ID CHEMBL1950263 External Source CHEMBL
PubChem CID 57394400 Functional Category Bioactive
Molecule Name benzyl N-[(2S)-1-[[(2S,3S)-1-[[(1E,2S)-1-(carbamoylhydrazinylidene)-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamate
IUPAC Name benzyl N-[(2S)-1-[[(2S,3S)-1-[[(1E,2S)-1-(carbamoylhydrazinylidene)-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamate
Synonyms
InChi InChI=1S/C30H43N9O5/c1-3-20(2)25(27(41)36-23(18-35-39-29(33)42)17-21-11-6-4-7-12-21)38-26(40)24(15-10-16-34-28(31)32)37-30(43)44-19-22-13-8-5-9-14-22/h4-9,11-14,18,20,23-25H,3,10,15-17,19H2,1-2H3,(H,36,41)(H,37,43)(H,38,40)(H4,31,32,34)(H3,33,39,42)/b35-18+/t20-,23-,24-,25-/m0/s1
InChiKey XBDWQYNPVXGUGR-SVUPZLFOSA-N
Formula C30H43N9O5 Molecular Weight 609.72
Cross Link CHEMBL1950263
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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