CFam Chemical Families Database
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You are searching for "CFAMM00039536" 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 CFAMM00039536
Family CFFAD224 Oxytocin receptor Ligand Oxytocin Family
Superfamily CFSAD18 Oxytocin receptor and Vasopressin V2 receptor Binder Superfamily
Class CFCAD18 Class 18
External ID CHEMBL331109 External Source CHEMBL
PubChem CID 44346033 Functional Category Bioactive
Molecule Name ALMPLYACI
IUPAC Name (2S,3S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylpentanoic acid
Synonyms
InChi InChI=1S/C46H75N9O11S2/c1-10-26(6)37(46(65)66)54-43(62)35(23-67)53-39(58)28(8)48-40(59)34(22-29-13-15-30(56)16-14-29)51-42(61)33(21-25(4)5)52-44(63)36-12-11-18-55(36)45(64)31(17-19-68-9)49-41(60)32(20-24(2)3)50-38(57)27(7)47/h13-16,24-28,31-37,56,67H,10-12,17-23,47H2,1-9H3,(H,48,59)(H,49,60)(H,50,57)(H,51,61)(H,52,63)(H,53,58)(H,54,62)(H,65,66)/t26-,27-,28-,31-,32-,33-,34-,35-,36-,37-/m0/s1
InChiKey HVUSPTXVKJVJLC-KFFSJVQZSA-N
Formula C46H75N9O11S2 Molecular Weight 994.27
Cross Link CHEMBL331109
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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