CFam Chemical Families Database
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You are searching for "CFAMM00450729" in compound.

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CFAM Mol ID CFAMM00450729
Family CFFBM19123 Glutamate carboxypeptidase 2 inhibitor (2S)-2-[[(1S)-1-carboxy-2-(furan-2-yl)ethyl]carbamoylamino]-6-[(4-iodobenzoyl)amino]hexanoic acid family
Superfamily CFSBM7482 Cruzipain and Muscleblind-like protein 1 Binder Superfamily
Class CFCID64 Class 1414
External ID CHEMBL604257 External Source CHEMBL
PubChem CID 46228341 Functional Category Bioactive
Molecule Name (2S)-2-[[(1S)-1-carboxy-2-(furan-2-yl)ethyl]carbamoylamino]-6-[(4-iodobenzoyl)amino]hexanoic acid
IUPAC Name (2S)-2-[[(1S)-1-carboxy-2-(furan-2-yl)ethyl]carbamoylamino]-6-[(4-iodobenzoyl)amino]hexanoic acid
Synonyms CHEBI:696099;N~2~-{[(1s)-1-Carboxy-2-(Furan-2-Yl)ethyl]carbamoyl}-N~6~-(4-Iodobenzoyl)-L-Lysine;2QP
InChi InChI=1S/C21H24IN3O7/c22-14-8-6-13(7-9-14)18(26)23-10-2-1-5-16(19(27)28)24-21(31)25-17(20(29)30)12-15-4-3-11-32-15/h3-4,6-9,11,16-17H,1-2,5,10,12H2,(H,23,26)(H,27,28)(H,29,30)(H2,24,25,31)/t16-,17-/m0/s1
InChiKey XDHPABCLBICMJM-IRXDYDNUSA-N
Formula C21H24IN3O7 Molecular Weight 557.34
Cross Link CHEMBL604257
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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