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Ligand

NameCHEMBL2369387
Molecular formulaC43H62N12O8
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-ethoxy-4-methylpentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
Molecular weight875.045
Hydrogen bond acceptor10
Hydrogen bond donor10
XlogP1.8
SynonymsBDBM50012301
Inchi KeyAYBYPZJLRIZSSC-ACTMPAEPSA-N
Inchi IDInChI=1S/C43H62N12O8/c1-8-63-21-31(13-24(2)3)52-41(60)36(16-30-19-45-23-49-30)53-37(57)20-47-43(62)38(25(4)5)55-39(58)26(6)50-40(59)34(14-28-17-46-33-12-10-9-11-32(28)33)54-42(61)35(51-27(7)56)15-29-18-44-22-48-29/h9-12,17-19,22-26,31,34-36,38,46H,8,13-16,20-21H2,1-7H3,(H,44,48)(H,45,49)(H,47,62)(H,50,59)(H,51,56)(H,52,60)(H,53,57)(H,54,61)(H,55,58)/t26-,31-,34-,35-,36-,38-/m0/s1
PubChem CID15745500
ChEMBLCHEMBL2369387
IUPHARN/A
BindingDB50012301
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
17309Gastrin-releasing peptide receptorP21729GrprMus musculus (Mouse)384

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