CFam Chemical Families Database
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You are searching for "CFAMM00433861" in compound.

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CFAM Mol ID CFAMM00433861
Family CFFBM15401 Matrix metalloproteinase-9 and Neutrophil collagenase inhibitor (2R)-N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide family
Superfamily CFSBM2190 Inositol monophosphatase 1 and Cruzipain Binder Superfamily
Class CFCID923 Class 2273
External ID CHEMBL337846 External Source CHEMBL
PubChem CID 44354261 Functional Category Bioactive
Molecule Name tert-butyl (2S)-6-amino-2-[[(3S)-2-[[1-[2-(1,3-benzodioxol-5-yl)acetyl]piperidine-3-carbonyl]amino]-3-(1H-indol-3-yl)butanoyl]amino]hexanoate
IUPAC Name tert-butyl (2S)-6-amino-2-[[(3S)-2-[[1-[2-(1,3-benzodioxol-5-yl)acetyl]piperidine-3-carbonyl]amino]-3-(1H-indol-3-yl)butanoyl]amino]hexanoate
Synonyms CHEBI:319585
InChi InChI=1S/C37H49N5O7/c1-23(27-20-39-28-12-6-5-11-26(27)28)33(35(45)40-29(13-7-8-16-38)36(46)49-37(2,3)4)41-34(44)25-10-9-17-42(21-25)32(43)19-24-14-15-30-31(18-24)48-22-47-30/h5-6,11-12,14-15,18,20,23,25,29,33,39H,7-10,13,16-17,19,21-22,38H2,1-4H3,(H,40,45)(H,41,44)/t23-,25?,29-,33?/m0/s1
InChiKey GUBUZCSPGKGTHR-IGGDTHMGSA-N
Formula C37H49N5O7 Molecular Weight 675.81
Cross Link CHEMBL337846
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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