CFam Chemical Families Database
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You are searching for "CFAMM00420265" in compound.

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CFAM Mol ID CFAMM00420265
Family CFFBM13094 Matrix metalloproteinase-9 and 72 kDa type IV collagenase inhibitor (2R)-2-[(3S,4R)-1-[2-(1,3-dioxoisoindol-2-yl)acetyl]-4-sulfanylpyrrolidin-3-yl]sulfanyl-4-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide family
Superfamily CFSBM164 Pol polyprotein and Matrix metalloproteinase-9 Binder Superfamily 2
Class CFCID1180 Class 2530
External ID ZINC04085537 External Source ZINC
PubChem CID 7095065 Functional Category Natural Product
Molecule Name (2S,3R)-2-[[(3R,9bR)-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carbonyl]amino]-3-methylpentanoate
IUPAC Name (2S,3R)-2-[[(3R,9bR)-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carbonyl]amino]-3-methylpentanoate
Synonyms AC1OF8HB;(2S,3R)-2-[[(3R,9bR)-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carbonyl]amino]-3-methylpentanoate
InChi InChI=1S/C17H20N2O4S/c1-3-9(2)13(17(22)23)18-14(20)12-8-24-16-11-7-5-4-6-10(11)15(21)19(12)16/h4-7,9,12-13,16H,3,8H2,1-2H3,(H,18,20)(H,22,23)/p-1/t9-,12+,13+,16-/m1/s1
InChiKey BVFKRSWCZDTZRX-DPBRGUSISA-M
Formula C17H19N2O4S- Molecular Weight 347.41
Cross Link
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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