CFam Chemical Families Database
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You are searching for "CFAMM00257210" in compound.

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CFAM Mol ID CFAMM00257210
Family CFFID2016 Cathepsin B and Cathepsin S Inhibitor Cbz-ile-leu-ala-leuvsme Family
Superfamily CFSID698 Cruzipain and Cathepsin S Binder Superfamily
Class CFCCD382 Class 1195
External ID CHEMBL379771 External Source CHEMBL
PubChem CID 11607192 Functional Category Bioactive
Molecule Name tert-butyl (3S)-4-[[(2S)-1-[[(E,3S)-5-methyl-1-methylsulfonylhex-1-en-3-yl]amino]-1-oxopropan-2-yl]amino]-3-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-oxobutanoate
IUPAC Name tert-butyl (3S)-4-[[(2S)-1-[[(E,3S)-5-methyl-1-methylsulfonylhex-1-en-3-yl]amino]-1-oxopropan-2-yl]amino]-3-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-oxobutanoate
Synonyms CHEBI:446371
InChi InChI=1S/C33H52N4O9S/c1-10-22(4)28(37-32(42)45-20-24-14-12-11-13-15-24)31(41)36-26(19-27(38)46-33(6,7)8)30(40)34-23(5)29(39)35-25(18-21(2)3)16-17-47(9,43)44/h11-17,21-23,25-26,28H,10,18-20H2,1-9H3,(H,34,40)(H,35,39)(H,36,41)(H,37,42)/b17-16+/t22-,23-,25+,26-,28-/m0/s1
InChiKey FFWZKZLSOYFBRU-DCFBGCBMSA-N
Formula C33H52N4O9S Molecular Weight 680.85
Cross Link CHEMBL379771
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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