CFam Chemical Families Database
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You are searching for "CFAMM00264196" in compound.

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CFAM Mol ID CFAMM00264196
Family CFFID2279 Plasmepsin-2 Inhibitor KNI-10079 Family
Superfamily CFSID1675 Plasmepsin-2 Binder Superfamily
Class CFCID1060 Class 2410
External ID CHEMBL331945 External Source CHEMBL
PubChem CID 479758 Functional Category Bioactive
Molecule Name AC1LA1BP
IUPAC Name (2R,4S)-2-benzyl-5-[[(3S,6S)-6-butan-2-yl-4,7-dioxo-14-oxa-5,8-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-3-yl]amino]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
Synonyms CHEBI:294152;(2R,4S)-2-benzyl-5-[[(3S,6S)-6-butan-2-yl-4,7-dioxo-14-oxa-5,8-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-3-yl]amino]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide;N-13-[(10S,13S)-9,12-Dioxo-10-(2-butyl)-2-oxa-8,11-diazabicyclo[13.2.2]nonadeca-15,17,18-trienyl]-(2R)-benzyl-(4S)-hydroxy-5-aminopentanoic-(1R)-hydroxy-(2S)-indaneamide
InChi InChI=1S/C41H54N4O6/c1-3-27(2)37-41(50)42-20-10-5-11-21-51-33-18-16-29(17-19-33)23-35(40(49)44-37)43-26-32(46)24-31(22-28-12-6-4-7-13-28)39(48)45-38-34-15-9-8-14-30(34)25-36(38)47/h4,6-9,12-19,27,31-32,35-38,43,46-47H,3,5,10-11,20-26H2,1-2H3,(H,42,50)(H,44,49)(H,45,48)/t27?,31-,32+,35+,36-,37+,38+/m1/s1
InChiKey ZXUOAWXMXWTRGE-ASZZIURCSA-N
Formula C41H54N4O6 Molecular Weight 698.89
Cross Link CHEMBL331945
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
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National University of Singapore, Singapore


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