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Ligand

NameGB88
Molecular formulaC32H42N4O4
IUPAC nameN-[(2S)-3-cyclohexyl-1-[[(2S,3R)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
Molecular weight546.712
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP6.5
SynonymsGB-88
N-[(2S)-3-cyclohexyl-1-[[(2S,3R)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
D0A5GJ
GB 88
GTPL6658
Inchi KeyDCUDDCGUKZLQLN-ZEZZXZOMSA-N
Inchi IDInChI=1S/C32H42N4O4/c1-3-22(2)28(31(39)36-19-16-32(17-20-36)15-13-24-11-7-8-12-25(24)32)35-29(37)26(21-23-9-5-4-6-10-23)34-30(38)27-14-18-33-40-27/h7-8,11-15,18,22-23,26,28H,3-6,9-10,16-17,19-21H2,1-2H3,(H,34,38)(H,35,37)/t22-,26+,28+/m1/s1
PubChem CID73755230
ChEMBLN/A
IUPHAR6658
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
553519Proteinase-activated receptor 2P55085F2RL1Homo sapiens (Human)397

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