CFam Chemical Families Database
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You are searching for "CFAMM00233236" in compound.

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CFAM Mol ID CFAMM00233236
Family CFFID1249 Somatostatin receptor type 1 Ligand Des-aa1,2,5-[(nalphame)lys4,d-nal8,iamp9]srif Family
Superfamily CFSID946 Genome polyprotein and Delta-type opioid receptor Binder Superfamily
Class CFCID656 Class 2006
External ID DNC004728 External Source TTD
PubChem CID 44388130 Functional Category Investigative Drug
Molecule Name Des-AA1,2,5-[D-Nal8,IAmp9]SRIF
IUPAC Name (4R,7S,10R,13S,16R,19S,22S,25S,28R,31R,34S)-34-amino-31-(4-aminobutyl)-13,25,28-tribenzyl-10,16-bis[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-22-(naphthalen-2-ylmethyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-19-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacontane-4-carboxylic acid
Synonyms CHEBI:397974;DNC004728;Des-AA1,2,5-[D-Nal8,IAmp9]SRIF
InChi InChI=1S/C76H97N13O15S2/c1-44(2)79-40-51-29-27-50(28-30-51)38-59-71(98)88-64(45(3)91)74(101)85-60(37-49-22-12-7-13-23-49)72(99)89-65(46(4)92)75(102)86-62(41-90)73(100)87-63(76(103)104)43-106-105-42-55(78)66(93)80-56(26-16-17-33-77)67(94)81-57(35-47-18-8-5-9-19-47)68(95)82-58(36-48-20-10-6-11-21-48)69(96)84-61(70(97)83-59)39-52-31-32-53-24-14-15-25-54(53)34-52/h5-15,18-25,27-32,34,44-46,55-65,79,90-92H,16-17,26,33,35-43,77-78H2,1-4H3,(H,80,93)(H,81,94)(H,82,95)(H,83,97)(H,84,96)(H,85,101)(H,86,102)(H,87,100)(H,88,98)(H,89,99)(H,103,104)/t45-,46-,55-,56-,57-,58+,59+,60+,61+,62+,63+,64-,65-/m1/s1
InChiKey VQFBJGSUDSOXIC-MKQNODHSSA-N
Formula C76H97N13O15S2 Molecular Weight 1496.79
Cross Link CHEMBL410428
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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National University of Singapore, Singapore


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