CFam Chemical Families Database
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You are searching for "CFAMM00183530" 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 CFAMM00183530
Family CFFID188 Neuropeptide Y receptor type 1 Ligand Bibp 3226 Family
Superfamily CFSAD641 Mu-type opioid receptor Ligand Alvimopan Superfamily
Class CFCAD323 Class 323
External ID CHEMBL172293 External Source CHEMBL
PubChem CID 44382891 Functional Category Bioactive
Molecule Name (2R)-2-[[(2S)-2-(diaminomethylideneamino)-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-3-phenylpropan-2-yl]amino]propan-2-yl]butanamide
IUPAC Name (2R)-2-[[(2S)-2-(diaminomethylideneamino)-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-3-phenylpropan-2-yl]amino]propan-2-yl]butanamide
Synonyms CHEBI:385822
InChi InChI=1S/C37H48N8O6S/c1-23(27-12-8-5-9-13-27)41-32(47)22-40-34(49)30(20-25-10-6-4-7-11-25)44-33(48)24(2)42-35(50)29(18-19-52-3)43-36(51)31(45-37(38)39)21-26-14-16-28(46)17-15-26/h4-17,23-24,29-31,46H,18-22H2,1-3H3,(H,40,49)(H,41,47)(H,42,50)(H,43,51)(H,44,48)(H4,38,39,45)/t23?,24-,29+,30-,31-/m0/s1
InChiKey ZTRBNVYBMBORMW-FZEWTQTLSA-N
Formula C37H48N8O6S Molecular Weight 732.89
Cross Link CHEMBL172293
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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