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Ligand

NameCHEMBL3577994
Molecular formulaC54H66N12O9
IUPAC name2-[(3R,9S,12S,15S,21S,24S,27S)-9,21-dibenzyl-24-[3-(diaminomethylideneamino)propyl]-12-methyl-18-(naphthalen-2-ylmethyl)-2,8,11,14,17,20,23,26-octaoxo-1,7,10,13,16,19,22,25-octazatricyclo[25.3.0.03,7]triacontan-15-yl]acetamide
Molecular weight1027.2
Hydrogen bond acceptor10
Hydrogen bond donor9
XlogP1.9
SynonymsBDBM50089412
Inchi KeyDNVIWLKKWIYAKK-JHQNEBCVSA-N
Inchi IDInChI=1S/C54H66N12O9/c1-32-46(68)64-42(29-34-15-6-3-7-16-34)52(74)66-26-12-21-44(66)53(75)65-25-11-20-43(65)51(73)60-38(19-10-24-58-54(56)57)47(69)61-39(28-33-13-4-2-5-14-33)49(71)62-40(50(72)63-41(31-45(55)67)48(70)59-32)30-35-22-23-36-17-8-9-18-37(36)27-35/h2-9,13-18,22-23,27,32,38-44H,10-12,19-21,24-26,28-31H2,1H3,(H2,55,67)(H,59,70)(H,60,73)(H,61,69)(H,62,71)(H,63,72)(H,64,68)(H4,56,57,58)/t32-,38-,39-,40?,41-,42-,43-,44+/m0/s1
PubChem CID122178165
ChEMBLCHEMBL3577994
IUPHARN/A
BindingDB50089412
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
470884Melanocortin receptor 3P33033Mc3rMus musculus (Mouse)323
470883Melanocortin receptor 4P56450Mc4rMus musculus (Mouse)332
470885Melanocortin receptor 5P41149Mc5rMus musculus (Mouse)325
470886Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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