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Ligand

NameCHEMBL216295
Molecular formulaC50H69N15O10
IUPAC name(7R,10R,13S,16S,19S,22S)-22-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-16-benzyl-13-[3-(diaminomethylideneamino)propyl]-19-(1H-imidazol-5-ylmethyl)-10-(1H-indol-3-ylmethyl)-9,12,15,18,21,24-hexaoxo-1-oxa-2,8,11,14,17,20-hexazacyclotetracosane-7-carboxamide
Molecular weight1040.2
Hydrogen bond acceptor13
Hydrogen bond donor13
XlogP0.3
SynonymsBDBM50144873
Ac-Nle-c[Asp-His-DPhe-Arg-Trp-Gly-Lys]-NH2
Inchi KeyAQZUWHBMAIRHAI-ZVMIYURWSA-N
Inchi IDInChI=1S/C50H69N15O10/c1-28(2)20-37(59-29(3)66)45(70)65-41-24-42(67)75-58-19-10-9-16-35(43(51)68)60-47(72)39(22-31-25-56-34-15-8-7-14-33(31)34)63-44(69)36(17-11-18-55-50(52)53)61-46(71)38(21-30-12-5-4-6-13-30)62-48(73)40(64-49(41)74)23-32-26-54-27-57-32/h4-8,12-15,25-28,35-41,56,58H,9-11,16-24H2,1-3H3,(H2,51,68)(H,54,57)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,69)(H,64,74)(H,65,70)(H4,52,53,55)/t35-,36+,37+,38+,39-,40+,41+/m1/s1
PubChem CID44310104
ChEMBLCHEMBL216295
IUPHARN/A
BindingDB50144873
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
12241Melanocortin receptor 3P33033Mc3rMus musculus (Mouse)323
12238Melanocortin receptor 4P56450Mc4rMus musculus (Mouse)332
12239Melanocortin receptor 5P41149Mc5rMus musculus (Mouse)325
12240Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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