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Ligand

NameCHEMBL262756
Molecular formulaC57H72N14O8
IUPAC name(2S)-N-[(2S)-1-[[(2S)-1-[(2S)-2-[[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]methyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(3-phenylpropanoylamino)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanamide
Molecular weight1081.29
Hydrogen bond acceptor11
Hydrogen bond donor11
XlogP3.4
SynonymsBDBM50040317
PhCH2CH2(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)Phe-NH2
Inchi KeyXLYQOKWAPHMGLO-UMGZNUPLSA-N
Inchi IDInChI=1S/C57H72N14O8/c1-34(2)50(56(78)66-35(3)52(74)69-48(27-41-30-60-33-64-41)57(79)71-23-13-18-42(71)31-62-45(51(58)73)24-38-16-9-6-10-17-38)70-53(75)36(4)65-54(76)46(25-39-28-61-44-20-12-11-19-43(39)44)68-55(77)47(26-40-29-59-32-63-40)67-49(72)22-21-37-14-7-5-8-15-37/h5-12,14-17,19-20,28-30,32-36,42,45-48,50,61-62H,13,18,21-27,31H2,1-4H3,(H2,58,73)(H,59,63)(H,60,64)(H,65,76)(H,66,78)(H,67,72)(H,68,77)(H,69,74)(H,70,75)/t35-,36-,42-,45-,46-,47-,48-,50-/m0/s1
PubChem CID44359203
ChEMBLCHEMBL262756
IUPHARN/A
BindingDB50040317
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
395335Gastrin-releasing peptide receptorP21729GrprMus musculus (Mouse)384

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