CFam Chemical Families Database
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You are searching for "CFAMM00268362" in compound.

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CFAM Mol ID CFAMM00268362
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 CHEMBL229656 External Source CHEMBL
PubChem CID 16735781 Functional Category Bioactive
Molecule Name N-[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-4-[(pyridin-2-ylmethylamino)methyl]benzamide
IUPAC Name N-[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-4-[(pyridin-2-ylmethylamino)methyl]benzamide
Synonyms CHEBI:482370
InChi InChI=1S/C48H60N12O6/c1-30(2)23-40(47(66)58-38(16-10-22-54-48(50)51)46(65)59-39(43(49)62)25-34-27-55-37-15-7-6-14-36(34)37)57-42(61)29-56-45(64)41(24-31-11-4-3-5-12-31)60-44(63)33-19-17-32(18-20-33)26-52-28-35-13-8-9-21-53-35/h3-9,11-15,17-21,27,30,38-41,52,55H,10,16,22-26,28-29H2,1-2H3,(H2,49,62)(H,56,64)(H,57,61)(H,58,66)(H,59,65)(H,60,63)(H4,50,51,54)/t38-,39-,40-,41-/m0/s1
InChiKey JWKXBVXEAQIUFK-MFDNGWNGSA-N
Formula C48H60N12O6 Molecular Weight 901.07
Cross Link CHEMBL229656
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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