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Ligand

NameCHEMBL1082211
Molecular formulaC27H25N3O2
IUPAC name[(3S)-4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl]-(4-phenylphenyl)methanone
Molecular weight423.516
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.5
SynonymsBDBM50312776
(S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl)(biphenyl-4-yl)methanone
Inchi KeyGGUUYQBMWBFCFQ-IBGZPJMESA-N
Inchi IDInChI=1S/C27H25N3O2/c1-19-18-29(26(31)23-10-7-21(8-11-23)20-5-3-2-4-6-20)15-16-30(19)27(32)24-12-9-22-13-14-28-25(22)17-24/h2-14,17,19,28H,15-16,18H2,1H3/t19-/m0/s1
PubChem CID46880568
ChEMBLCHEMBL1082211
IUPHARN/A
BindingDB50312776
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 11
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
960585-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
960605-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
96062Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
96054D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
96056D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
96052Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366
96053Growth hormone secretagogue receptor type 1O08725GhsrRattus norvegicus (Rat)364
96061Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
96055Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
96059Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
96057Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590

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