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Ligand

NameCHEMBL420581
Molecular formulaC40H56N10O5
IUPAC name(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[(2R)-2-[[(2S)-2-(butylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-6-(dimethylamino)hexanamide
Molecular weight756.953
Hydrogen bond acceptor8
Hydrogen bond donor8
XlogP2.8
SynonymsBDBM50116864
(S)-2-{(R)-2-[(S)-2-Butylamino-3-(3H-imidazol-4-yl)-propionylamino]-3-phenyl-propionylamino}-6-dimethylamino-hexanoic acid [(S)-1-(carbamoylmethyl-carbamoyl)-2-(1H-indol-3-yl)-ethyl]-amide
Inchi KeyCISIOQFTZFUVDT-KMSCUOMXSA-N
Inchi IDInChI=1S/C40H56N10O5/c1-4-5-18-43-33(22-29-24-42-26-46-29)39(54)48-34(20-27-13-7-6-8-14-27)40(55)47-32(17-11-12-19-50(2)3)38(53)49-35(37(52)45-25-36(41)51)21-28-23-44-31-16-10-9-15-30(28)31/h6-10,13-16,23-24,26,32-35,43-44H,4-5,11-12,17-22,25H2,1-3H3,(H2,41,51)(H,42,46)(H,45,52)(H,47,55)(H,48,54)(H,49,53)/t32-,33-,34+,35-/m0/s1
PubChem CID44317278
ChEMBLCHEMBL420581
IUPHARN/A
BindingDB50116864
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
42937Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
42938Melanocyte-stimulating hormone receptorQ01726MC1RHomo sapiens (Human)317

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