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Ligand

NameMLS001239478
Molecular formulaC29H32N4O3S2
IUPAC name4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
Molecular weight548.72
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP5.2
SynonymsSMR000807778
CHEBI:104003
MCULE-9066095598
AKOS024622467
ZINC38144545
[ Show all ]
Inchi KeyAVOROEGEYAGDGQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H32N4O3S2/c1-21-9-14-26-27(19-21)37-29(30-26)33(17-6-16-31(2)3)28(34)23-10-12-25(13-11-23)38(35,36)32-18-15-22-7-4-5-8-24(22)20-32/h4-5,7-14,19H,6,15-18,20H2,1-3H3
PubChem CID24892627
ChEMBLN/A
IUPHARN/A
BindingDB66953
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
15503Apelin receptorP35414APLNRHomo sapiens (Human)380
15502Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
15504Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359

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