CFam Chemical Families Database
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You are searching for "CFAMM00254406" in compound.

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CFAM Mol ID CFAMM00254406
Family CFFID1928 Delta-type opioid receptor and Gastrin/cholecystokinin type B receptor Ligand H-tyr-d-ala-gly-phe-nh-nh-phe-asp-nle-trp-ac Family
Superfamily CFSAD574 peptide hormone ligand peptide Ceruletide Lanreotide Superfamily
Class CFCAD85 Class 85
External ID DNC007062 External Source TTD
PubChem CID 16100407 Functional Category Investigative Drug
Molecule Name H-Tyr-D-Ala-Gly-Phe-NH-NH-D-Trp-Nle-Asp-Phe-Bo
IUPAC Name (3S)-4-[[(2S)-1-[[(2R)-1-[2-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]hydrazinyl]-3-(1H-indol-2-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-oxobutanoic acid
Synonyms CHEBI:465859;DNC007062;H-Tyr-D-Ala-Gly-Phe-NH-NH-D-Trp-Nle-Asp-Phe-Bo
InChi InChI=1S/C58H73N11O13/c1-6-7-21-43(64-54(78)47(32-49(72)73)66-53(77)44(28-35-16-10-8-11-17-35)67-57(81)82-58(3,4)5)52(76)65-46(31-39-30-38-20-14-15-22-42(38)62-39)56(80)69-68-55(79)45(29-36-18-12-9-13-19-36)63-48(71)33-60-50(74)34(2)61-51(75)41(59)27-37-23-25-40(70)26-24-37/h8-20,22-26,30,34,41,43-47,62,70H,6-7,21,27-29,31-33,59H2,1-5H3,(H,60,74)(H,61,75)(H,63,71)(H,64,78)(H,65,76)(H,66,77)(H,67,81)(H,68,79)(H,69,80)(H,72,73)/t34-,41+,43+,44+,45+,46-,47+/m1/s1
InChiKey FEOAQCGOOODCEB-RXFVQNAMSA-N
Formula C58H73N11O13 Molecular Weight 1132.27
Cross Link CHEMBL217957
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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