CFAM Mol ID	CFAMM00257260
Family	CFFID2017 Cathepsin B and Cathepsin S Inhibitor Ac-hphe-leu-ala-leuvsme Family
Superfamily	CFSCD668 Litronesib Superfamily
Class	CFCCD472 Class 1285
External ID	CHEMBL2326265	External Source	CHEMBL
PubChem CID	71561997	Functional Category	Bioactive
Molecule Name	(2S)-2-[[(2S)-3-(4-aminophenyl)-2-[[(2S)-2-azido-3-phenylpropanoyl]amino]propanoyl]amino]-4-methyl-N-[(E,3S)-5-methyl-1-methylsulfonylhex-1-en-3-yl]pentanamide
IUPAC Name	(2S)-2-[[(2S)-3-(4-aminophenyl)-2-[[(2S)-2-azido-3-phenylpropanoyl]amino]propanoyl]amino]-4-methyl-N-[(E,3S)-5-methyl-1-methylsulfonylhex-1-en-3-yl]pentanamide
Synonyms
InChi	InChI=1S/C32H45N7O5S/c1-21(2)17-26(15-16-45(5,43)44)35-30(40)27(18-22(3)4)36-31(41)28(19-24-11-13-25(33)14-12-24)37-32(42)29(38-39-34)20-23-9-7-6-8-10-23/h6-16,21-22,26-29H,17-20,33H2,1-5H3,(H,35,40)(H,36,41)(H,37,42)/b16-15+/t26-,27+,28+,29+/m1/s1
InChiKey	ZNZRKILWXAGJNN-QXYKVNGXSA-N
Formula	C32H45N7O5S	Molecular Weight	639.81
Cross Link	CHEMBL2326265
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

48680 visits since 2014 .........

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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