CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00451237" 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 CFAMM00451237
Family CFFBM19273 Growth factor receptor-bound protein 2 ligand [4-[(2S)-2-acetamido-3-[[1-[[(2S)-4-amino-1-[3-(5-methoxyindol-1-yl)propylamino]-1,4-dioxobutan-2-yl]carbamoyl]cyclohexyl]amino]-3-oxopropyl]phenyl]methylphosphonic acid family
Superfamily CFSBM1956 Complement factor D and Melanocortin receptor 4 Binder Superfamily
Class CFCBM25 Class 3075
External ID CHEMBL72694 External Source CHEMBL
PubChem CID 44311998 Functional Category Bioactive
Molecule Name [4-[(2S)-2-acetamido-3-[[1-[[(2S)-4-amino-1-[3-(5-methoxyindol-1-yl)propylamino]-1,4-dioxobutan-2-yl]carbamoyl]cyclohexyl]amino]-3-oxopropyl]phenyl]methylphosphonic acid
IUPAC Name [4-[(2S)-2-acetamido-3-[[1-[[(2S)-4-amino-1-[3-(5-methoxyindol-1-yl)propylamino]-1,4-dioxobutan-2-yl]carbamoyl]cyclohexyl]amino]-3-oxopropyl]phenyl]methylphosphonic acid
Synonyms CHEBI:215281
InChi InChI=1S/C35H47N6O9P/c1-23(42)38-28(19-24-7-9-25(10-8-24)22-51(47,48)49)33(45)40-35(14-4-3-5-15-35)34(46)39-29(21-31(36)43)32(44)37-16-6-17-41-18-13-26-20-27(50-2)11-12-30(26)41/h7-13,18,20,28-29H,3-6,14-17,19,21-22H2,1-2H3,(H2,36,43)(H,37,44)(H,38,42)(H,39,46)(H,40,45)(H2,47,48,49)/t28-,29-/m0/s1
InChiKey KXTNXHLYXOXMOA-VMPREFPWSA-N
Formula C35H47N6O9P Molecular Weight 726.76
Cross Link CHEMBL72694
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
 

 

27058 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', 'CFAMM00451237'),None, txtsearch, CFAMM00451237|