CFam Chemical Families Database
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You are searching for "CFAMM00103096" in compound.

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CFAM Mol ID CFAMM00103096
Family CFFAD806 Renin Inhibitor Remikiren Family
Superfamily CFSAD449 Insulin-degrading enzyme inhibitor Bacitracin, Renin inhibitor Remikiren Superfamily
Class CFCAD414 Class 414
External ID CHEMBL144883 External Source CHEMBL
PubChem CID 44363296 Functional Category Bioactive
Molecule Name 2-[[2-[[2-[acetyl-[(E)-3-phenylprop-2-enoyl]amino]-3-(4-fluorophenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methylpentanamide
IUPAC Name 2-[[2-[[2-[acetyl-[(E)-3-phenylprop-2-enoyl]amino]-3-(4-fluorophenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methylpentanamide
Synonyms CHEBI:341188
InChi InChI=1S/C38H49FN10O6/c1-23(2)18-30(35(53)46-29(34(40)52)10-7-17-44-38(41)42)47-36(54)31(20-28-21-43-22-45-28)48-37(55)32(19-26-11-14-27(39)15-12-26)49(24(3)50)33(51)16-13-25-8-5-4-6-9-25/h4-6,8-9,11-16,21-23,29-32H,7,10,17-20H2,1-3H3,(H2,40,52)(H,43,45)(H,46,53)(H,47,54)(H,48,55)(H4,41,42,44)/b16-13+
InChiKey SBMFPXHTUDZHJN-DTQAZKPQSA-N
Formula C38H49FN10O6 Molecular Weight 760.86
Cross Link CHEMBL144883
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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