CFam Chemical Families Database
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You are searching for "CFAMM00390223" in compound.

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CFAM Mol ID CFAMM00390223
Family CFFBM8749 Beta-secretase 1 inhibitor KMI-420 family
Superfamily CFSBM4629 Beta-secretase 1 Binder Superfamily
Class CFCAD695 Class 695
External ID CHEMBL1645504 External Source CHEMBL
PubChem CID 53316808 Functional Category Bioactive
Molecule Name 3-[[2-[[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(2H-tetrazole-5-carbonylamino)propanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]methyl]-2-hydroxy-3-phenylpropanoyl]amino]benzoic acid
IUPAC Name 3-[[2-[[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(2H-tetrazole-5-carbonylamino)propanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]methyl]-2-hydroxy-3-phenylpropanoyl]amino]benzoic acid
Synonyms CHEBI:1160635
InChi InChI=1S/C33H44N10O8/c1-18(2)13-24(38-29(46)25(19(3)4)39-27(44)23(34)16-35-30(47)26-40-42-43-41-26)28(45)36-17-33(51,15-20-9-6-5-7-10-20)32(50)37-22-12-8-11-21(14-22)31(48)49/h5-12,14,18-19,23-25,51H,13,15-17,34H2,1-4H3,(H,35,47)(H,36,45)(H,37,50)(H,38,46)(H,39,44)(H,48,49)(H,40,41,42,43)/t23-,24-,25-,33?/m0/s1
InChiKey OZRARQSFOOEUNQ-IMGUBGMQSA-N
Formula C33H44N10O8 Molecular Weight 708.76
Cross Link CHEMBL1645504
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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