CFam Chemical Families Database
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You are searching for "CFAMM00257654" in compound.

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CFAM Mol ID CFAMM00257654
Family CFFID2033 Proto-oncogene tyrosine-protein kinase Src Inhibitor Ac-cys-ile-phe(4-no2)-lys-tyr-phe(4-no2) Family
Superfamily CFSID1524 Kappa-type opioid receptor and Delta-type opioid receptor Binder Superfamily 4
Class CFCAD18 Class 18
External ID DNC006621 External Source TTD
PubChem CID 44412084 Functional Category Investigative Drug
Molecule Name Cyclo[Ac-Cys-Ile-Tyr-Lys-Tyr-Phe]
IUPAC Name (3S,6S,9S,12S,18R)-9-(4-aminobutyl)-15-[(2S)-butan-2-yl]-6,12-bis[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20,23-heptaoxo-18-(sulfanylmethyl)-4,7,10,13,16,19,24-heptazabicyclo[23.2.2]nonacosa-1(27),25,28-triene-3-carboxylic acid
Synonyms DNC006621;Cyclo[Ac-Cys-Ile-Tyr-Lys-Tyr-Phe]
InChi InChI=1S/C46H60N8O11S/c1-3-26(2)40-45(63)52-35(23-29-11-17-32(56)18-12-29)42(60)50-33(6-4-5-21-47)41(59)51-34(22-28-9-15-31(55)16-10-28)43(61)53-36(46(64)65)24-27-7-13-30(14-8-27)48-38(57)19-20-39(58)49-37(25-66)44(62)54-40/h7-18,26,33-37,40,55-56,66H,3-6,19-25,47H2,1-2H3,(H,48,57)(H,49,58)(H,50,60)(H,51,59)(H,52,63)(H,53,61)(H,54,62)(H,64,65)/t26-,33-,34-,35-,36-,37-,40?/m0/s1
InChiKey QMRXULYAQQEMJC-FYDLKOHDSA-N
Formula C46H60N8O11S Molecular Weight 933.08
Cross Link
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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