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Ligand

NameCHEMBL271586
Molecular formulaC46H59N11O7
IUPAC name2-[(2S,5R,8S,11S)-2,5-dibenzyl-8-[3-(diaminomethylideneamino)propyl]-11-(1H-indol-3-ylmethyl)-3,6,9,12,18,23-hexaoxo-1,4,7,10,13,17-hexazacyclotricos-13-yl]acetamide
Molecular weight878.048
Hydrogen bond acceptor8
Hydrogen bond donor9
XlogP1.4
SynonymsBDBM50374672
Inchi KeyFTHTUSUQUUNCDD-DYLMPHRMSA-N
Inchi IDInChI=1S/C46H59N11O7/c47-39(58)29-57-24-12-23-50-40(59)20-9-10-21-41(60)53-36(25-30-13-3-1-4-14-30)43(62)55-37(26-31-15-5-2-6-16-31)44(63)54-35(19-11-22-51-46(48)49)42(61)56-38(45(57)64)27-32-28-52-34-18-8-7-17-33(32)34/h1-8,13-18,28,35-38,52H,9-12,19-27,29H2,(H2,47,58)(H,50,59)(H,53,60)(H,54,63)(H,55,62)(H,56,61)(H4,48,49,51)/t35-,36-,37+,38-/m0/s1
PubChem CID44457067
ChEMBLCHEMBL271586
IUPHARN/A
BindingDB50374672
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
86763Melanocortin receptor 3P33033Mc3rMus musculus (Mouse)323
86759Melanocortin receptor 4P56450Mc4rMus musculus (Mouse)332
86762Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
86760Melanocortin receptor 5P41149Mc5rMus musculus (Mouse)325
86761Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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