CFam Chemical Families Database
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You are searching for "CFAMM00445598" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00445598
Family CFFBM18039 Matrix metalloproteinase-9 and 72 kDa type IV collagenase inhibitor (2R)-2-[2-[2-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylhydrazinyl]-2-oxoethyl]-N-[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-4-methylpentanamide family
Superfamily CFSBM739 Prelamin-A/C and Cyclin-dependent kinase 2 Binder Superfamily 2
Class CFCAD8 Class 8
External ID CHEMBL502674 External Source CHEMBL
PubChem CID 44563493 Functional Category Bioactive
Molecule Name (2R)-2-[2-[2-[4-(4-bromophenyl)phenyl]sulfonylhydrazinyl]-2-oxoethyl]-4-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-(2-phenyl-1H-indol-3-yl)propan-2-yl]pentanamide
IUPAC Name (2R)-2-[2-[2-[4-(4-bromophenyl)phenyl]sulfonylhydrazinyl]-2-oxoethyl]-4-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-(2-phenyl-1H-indol-3-yl)propan-2-yl]pentanamide
Synonyms CHEBI:553894
InChi InChI=1S/C38H40BrN5O5S/c1-24(2)21-28(22-35(45)43-44-50(48,49)30-19-15-26(16-20-30)25-13-17-29(39)18-14-25)37(46)42-34(38(47)40-3)23-32-31-11-7-8-12-33(31)41-36(32)27-9-5-4-6-10-27/h4-20,24,28,34,41,44H,21-23H2,1-3H3,(H,40,47)(H,42,46)(H,43,45)/t28-,34+/m1/s1
InChiKey MLPPJTCCWGPRTB-MYVCOICNSA-N
Formula C38H40BrN5O5S Molecular Weight 758.72
Cross Link CHEMBL502674
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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