CFam Chemical Families Database
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You are searching for "CFAMM00268364" 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.

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CFAM Mol ID CFAMM00268364
Family CFFID2449 Melanocortin receptor 3 and Melanocortin receptor 4 Ligand C[co-o-c6h4-co-pro-d-nal(2)-arg-trp-lys]-nh2 Family
Superfamily CFSID45 Melanocortin receptor 3 and Melanocortin receptor 4 Binder Superfamily
Class CFCAD147 Class 147
External ID CHEMBL366040 External Source CHEMBL
PubChem CID 44394657 Functional Category Bioactive
Molecule Name (2S)-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-3-(4-chlorophenyl)-2-[(2-hydroxyacetyl)amino]propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanamide
IUPAC Name (2S)-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-3-(4-chlorophenyl)-2-[(2-hydroxyacetyl)amino]propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanamide
Synonyms CHEBI:409350
InChi InChI=1S/C37H44ClN9O6/c38-25-14-12-23(13-15-25)18-30(44-32(49)21-48)35(52)47-31(17-22-7-2-1-3-8-22)36(53)45-28(11-6-16-42-37(40)41)34(51)46-29(33(39)50)19-24-20-43-27-10-5-4-9-26(24)27/h1-5,7-10,12-15,20,28-31,43,48H,6,11,16-19,21H2,(H2,39,50)(H,44,49)(H,45,53)(H,46,51)(H,47,52)(H4,40,41,42)/t28-,29-,30-,31-/m0/s1
InChiKey BNEIQIMPYTWDKZ-ORYMTKCHSA-N
Formula C37H44ClN9O6 Molecular Weight 746.25
Cross Link CHEMBL366040
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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