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Ligand

NameCHEMBL218455
Molecular formulaC52H68N9O15S-
IUPAC name[4-[(2R)-3-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl] sulfate
Molecular weight1091.22
Hydrogen bond acceptor15
Hydrogen bond donor10
XlogP3.9
SynonymsBDBM50016503
Boc-Asp-D-Tyr(SO3Na)-Nle-Gly-Trp-Nle-Asp-Phe-NH2
Inchi KeyCSXIDZJPJYRGSK-PHHHQBPDSA-M
Inchi IDInChI=1S/C52H69N9O15S/c1-6-8-18-37(57-48(68)40(61-51(71)75-52(3,4)5)26-32-21-23-34(24-22-32)76-77(72,73)74)46(66)55-30-43(62)56-41(27-33-29-54-36-20-14-13-17-35(33)36)49(69)58-38(19-9-7-2)47(67)60-42(28-44(63)64)50(70)59-39(45(53)65)25-31-15-11-10-12-16-31/h10-17,20-24,29,37-42,54H,6-9,18-19,25-28,30H2,1-5H3,(H2,53,65)(H,55,66)(H,56,62)(H,57,68)(H,58,69)(H,59,70)(H,60,67)(H,61,71)(H,63,64)(H,72,73,74)/p-1/t37-,38-,39-,40+,41-,42-/m0/s1
PubChem CID91928920
ChEMBLN/A
IUPHARN/A
BindingDB50016503
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
519913Cholecystokinin receptor type AQ63931CCKARCavia porcellus (Guinea pig)430

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