CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00234996" 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.

Search Results

CFAM Mol ID CFAMM00234996
Family CFFID1300 Plasmepsin-1 Inhibitor SC-5003 Family
Superfamily CFSAD716 Bacterial outer membrane Inhibitor Polymyxin B Superfamily
Class CFCAD607 Class 607
External ID CHEMBL297349 External Source CHEMBL
PubChem CID 453908 Functional Category Bioactive
Molecule Name AC1L9R9D
IUPAC Name tert-butyl N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-methyl-6-oxo-1-phenylhexan-2-yl]carbamate
Synonyms N-[2(R)-Hydroxy-1(S)-indanyl]-5(S)-[[(1,1-dimethylethoxy)carbonyl]amino]-4(S)-hydroxy-6-phenyl-2(R)-methylhexanamide;tert-butyl N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-methyl-6-oxo-1-phenylhexan-2-yl]carbamate
InChi InChI=1S/C27H36N2O5/c1-17(25(32)29-24-20-13-9-8-12-19(20)16-23(24)31)14-22(30)21(15-18-10-6-5-7-11-18)28-26(33)34-27(2,3)4/h5-13,17,21-24,30-31H,14-16H2,1-4H3,(H,28,33)(H,29,32)/t17-,21+,22+,23-,24+/m1/s1
InChiKey RKBFUEKWXAXYBO-RNBKDOAQSA-N
Formula C27H36N2O5 Molecular Weight 468.59
Cross Link CHEMBL297349
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
 

 

69961 visits since 2014 .........

 



Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00234996'),None, txtsearch, CFAMM00234996|