CFam Chemical Families Database
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You are searching for "CFAMM00222122" in compound.

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CFAM Mol ID CFAMM00222122
Family CFFID911 Cathepsin F Inhibitor Benzoyl-tyrosine-alanine-methyl Ketone Family
Superfamily CFSID746 Cathepsin F Inhibitor Benzoyl-tyrosine-alanine-methyl Ketone Superfamily
Class CFCID331 Class 1681
External ID CHEMBL2372197 External Source CHEMBL
PubChem CID 71308736 Functional Category Bioactive
Molecule Name Tyr-D-Ala-Gly-Phe-Leu-NH2
IUPAC Name acetic acid;(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
Synonyms [D-Ala2]-Leucine enkephalinamide acetate salt;100929-55-3
InChi InChI=1S/C29H40N6O6.C2H4O2/c1-17(2)13-23(26(31)38)35-29(41)24(15-19-7-5-4-6-8-19)34-25(37)16-32-27(39)18(3)33-28(40)22(30)14-20-9-11-21(36)12-10-20;1-2(3)4/h4-12,17-18,22-24,36H,13-16,30H2,1-3H3,(H2,31,38)(H,32,39)(H,33,40)(H,34,37)(H,35,41);1H3,(H,3,4)/t18-,22+,23+,24+;/m1./s1
InChiKey CQOMFFDBVNJVDP-KBUZRCILSA-N
Formula C31H44N6O8 Molecular Weight 628.72
Cross Link CHEMBL2372197
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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