CFam Chemical Families Database
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You are searching for "CFAMM00235024" in compound.

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CFAM Mol ID CFAMM00235024
Family CFFID1300 Plasmepsin-1 Inhibitor SC-5003 Family
Superfamily CFSAD716 Bacterial outer membrane Inhibitor Polymyxin B Superfamily
Class CFCAD607 Class 607
External ID CHEMBL327752 External Source CHEMBL
PubChem CID 44328327 Functional Category Bioactive
Molecule Name (2S)-2-acetamido-N-[(2S,3S)-4-[[[(2S)-2-acetamido-3-methylbutanoyl]amino]-[(4-cyanophenyl)methyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methylbutanamide
IUPAC Name (2S)-2-acetamido-N-[(2S,3S)-4-[[[(2S)-2-acetamido-3-methylbutanoyl]amino]-[(4-cyanophenyl)methyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methylbutanamide
Synonyms CHEBI:256774
InChi InChI=1S/C32H44N6O5/c1-20(2)29(34-22(5)39)31(42)36-27(16-24-10-8-7-9-11-24)28(41)19-38(18-26-14-12-25(17-33)13-15-26)37-32(43)30(21(3)4)35-23(6)40/h7-15,20-21,27-30,41H,16,18-19H2,1-6H3,(H,34,39)(H,35,40)(H,36,42)(H,37,43)/t27-,28-,29-,30-/m0/s1
InChiKey NVXHQRTVSVIPHA-KRCBVYEFSA-N
Formula C32H44N6O5 Molecular Weight 592.73
Cross Link CHEMBL327752
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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