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Ligand

NameCHEMBL406474
Molecular formulaC46H68N12O7
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)-3-(1H-imidazol-5-yl)-1-[[(4R)-2-methyldecan-4-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
Molecular weight901.127
Hydrogen bond acceptor9
Hydrogen bond donor10
XlogP4.5
SynonymsBDBM50012308
2-{2-[2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-3-(1H-indol-3-yl)-propionylamino]-propionylamino}-N-{[2-(3H-imidazol-4-yl)-1-(1-isobutyl-heptylcarbamoyl)-ethylcarbamoyl]-methyl}-3-methyl-butyramide
Inchi KeyZQEMAUJYJLUEQH-KXYCVNSMSA-N
Inchi IDInChI=1S/C46H68N12O7/c1-8-9-10-11-14-32(17-27(2)3)55-44(63)39(20-34-23-48-26-52-34)56-40(60)24-50-46(65)41(28(4)5)58-42(61)29(6)53-43(62)37(18-31-21-49-36-16-13-12-15-35(31)36)57-45(64)38(54-30(7)59)19-33-22-47-25-51-33/h12-13,15-16,21-23,25-29,32,37-39,41,49H,8-11,14,17-20,24H2,1-7H3,(H,47,51)(H,48,52)(H,50,65)(H,53,62)(H,54,59)(H,55,63)(H,56,60)(H,57,64)(H,58,61)/t29-,32+,37-,38-,39-,41-/m0/s1
PubChem CID44307197
ChEMBLCHEMBL406474
IUPHARN/A
BindingDB50012308
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
434871Gastrin-releasing peptide receptorP21729GrprMus musculus (Mouse)384

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