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Ligand

NameCHEMBL2369363
Molecular formulaC41H58N12O8
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-N-[2-[[(2S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
Molecular weight846.991
Hydrogen bond acceptor10
Hydrogen bond donor11
XlogP0.2
SynonymsBDBM50012299
2-{2-[2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-3-(1H-indol-3-yl)-propionylamino]-propionylamino}-N-{[1-(1-hydroxymethyl-3-methyl-butylcarbamoyl)-2-(3H-imidazol-4-yl)-ethylcarbamoyl]-methyl}-3-methyl-butyramide
Inchi KeyYMICSNQVBRVWNV-IXPDVYBYSA-N
Inchi IDInChI=1S/C41H58N12O8/c1-22(2)11-29(19-54)50-39(59)34(14-28-17-43-21-47-28)51-35(56)18-45-41(61)36(23(3)4)53-37(57)24(5)48-38(58)32(12-26-15-44-31-10-8-7-9-30(26)31)52-40(60)33(49-25(6)55)13-27-16-42-20-46-27/h7-10,15-17,20-24,29,32-34,36,44,54H,11-14,18-19H2,1-6H3,(H,42,46)(H,43,47)(H,45,61)(H,48,58)(H,49,55)(H,50,59)(H,51,56)(H,52,60)(H,53,57)/t24-,29-,32-,33-,34-,36-/m0/s1
PubChem CID73354457
ChEMBLCHEMBL2369363
IUPHARN/A
BindingDB50012299
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
413668Gastrin-releasing peptide receptorP21729GrprMus musculus (Mouse)384

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