CFam Chemical Families Database
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You are searching for "CFAMM00004672" in compound.

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CFAM Mol ID CFAMM00004672
Family CFFAD18 Vasopressin V2 receptor ligand peptide analog Desmopressin family
Superfamily CFSAD18 Oxytocin receptor and Vasopressin V2 receptor Binder Superfamily
Class CFCAD18 Class 18
External ID CHEMBL1163804 External Source CHEMBL
PubChem CID 46906168 Functional Category Bioactive
Molecule Name DFGYVAE
IUPAC Name (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]pentanedioic acid
Synonyms GTPL3023;CHEBI:744708;(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-phenylpropanamido]acetamido}-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]propanamido]pentanedioic acid
InChi InChI=1S/C37H49N7O13/c1-19(2)31(36(55)40-20(3)32(51)42-25(37(56)57)13-14-29(47)48)44-35(54)27(16-22-9-11-23(45)12-10-22)41-28(46)18-39-34(53)26(15-21-7-5-4-6-8-21)43-33(52)24(38)17-30(49)50/h4-12,19-20,24-27,31,45H,13-18,38H2,1-3H3,(H,39,53)(H,40,55)(H,41,46)(H,42,51)(H,43,52)(H,44,54)(H,47,48)(H,49,50)(H,56,57)/t20-,24-,25-,26-,27-,31-/m0/s1
InChiKey RRCWAJVJCDGGKS-UQPWSHDPSA-N
Formula C37H49N7O13 Molecular Weight 799.82
Cross Link CHEMBL1163804
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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