Therapeutic Targets Database
BIDD Pharmainformatics Databases
 
   
   

 

TTD Drug ID: DNC009737

Drug Information
NameAc-Nle-c[Asp-His-DNaI(2')-Pro-Trp-Lys]-NH2
IndicationNot AvailableExperimental    
Structure

Click to save drug structure in 3D MOL format

Click to save drug structure in 2D MOL format
InChI1S/C53H66N12O9/c1-3-4-15-40(59-31(2)66)48(69)62-43-27-46(67)56-21
-10-9-17-39(47(54)68)60-49(70)41(25-35-28-57-38-16-8-7-14-37(35)3
8)63-52(73)45-18-11-22-65(45)53(74)44(24-32-19-20-33-12-5-6-13-34
(33)23-32)64-50(71)42(61-51(43)72)26-36-29-55-30-58-36/h5-8,12-14
,16,19-20,23,28-30,39-45,57H,3-4,9-11,15,17-18,21-22,24-27H2,1-2H
3,(H2,54,68)(H,55,58)(H,56,67)(H,59,66)(H,60,70)(H,61,72)(H,62,69
)(H,63,73)(H,64,71)/t39-,40-,41-,42-,43-,44+,45-/m0/s1
InChIKeyNUEQNUVEEKTGQM-GTBIJRGCSA-N
Canonical SMILESCCCCC(C(=O)NC1CC(=O)NCCCCC(NC(=O)C(NC(=O)C2CCCN2C(=O)C(NC(=O)C(NC1=O)
CC3=CN=CN3)CC4=CC5=CC=CC=C5C=C4)CC6=CNC7=CC=CC=C76)C(=O)N)NC(=O)C    
Isomeric SMILESCCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C
(=O)[C@H](NC(=O)[C@@H](NC1=O)CC3=CN=CN3)CC4=CC5=CC=CC=C5C=C4)CC6=CNC7=
CC=CC=C76)C(=O)N)NC(=O)C
TargetMelanocortin receptor 1Inhibitor[1]
Melanocortin receptor 4Inhibitor[1]
Ref 1J Med Chem. 2009 Jun 25;52(12):3627-35.Substitution of arginine with proline and proline derivatives in melanocyte-stimulating hormones leads to selectivity for human melanocortin 4 receptor. To Reference



 

Welcome to sign our Guestbook.

If you find any error in data or bug in web service, please kindly report it to Dr. Zhu.


Dr. Chen Yuzong
Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543