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Ligand

NameFF33NL9U5G
Molecular formulaC29H32N6OS
IUPAC name2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
Molecular weight512.676
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.4
SynonymsEthanone, 1-(2-((1R)-2,3-dihydro-5-(6-methyl-4-pyrimidinyl)-1H-inden-1-yl)-2,7-diazaspiro(3.5)non-7-yl)-2-(2-methylimidazo(2,1-b)thiazol-6-yl)-
SB16996
AKOS034831614
HY-12584
ZINC72317087
[ Show all ]
Inchi KeyZIUDADZJCKGWKR-AREMUKBSSA-N
Inchi IDInChI=1S/C29H32N6OS/c1-19-11-25(31-18-30-19)22-3-5-24-21(12-22)4-6-26(24)35-16-29(17-35)7-9-33(10-8-29)27(36)13-23-15-34-14-20(2)37-28(34)32-23/h3,5,11-12,14-15,18,26H,4,6-10,13,16-17H2,1-2H3/t26-/m1/s1
PubChem CID58438464
ChEMBLCHEMBL3287218
IUPHAR9060
BindingDB50019926
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4295795-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
429578Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366
555419Growth hormone secretagogue receptor type 1O08725GhsrRattus norvegicus (Rat)364
555420Growth hormone secretagogue receptor type 1Q99P50GhsrMus musculus (Mouse)364
429580Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466

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