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Ligand

NameMLS001239249
Molecular formulaC30H34N4O3S2
IUPAC name4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide
Molecular weight562.747
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP5.5
SynonymsZINC38139103
CHEMBL1617487
AKOS024622685
cid_24891917
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
[ Show all ]
Inchi KeyATLWQJFAEBYNQN-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H34N4O3S2/c1-21-18-22(2)28-27(19-21)31-30(38-28)34(16-7-15-32(3)4)29(35)24-10-12-26(13-11-24)39(36,37)33-17-14-23-8-5-6-9-25(23)20-33/h5-6,8-13,18-19H,7,14-17,20H2,1-4H3
PubChem CID24891918
ChEMBLN/A
IUPHARN/A
BindingDB76142
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
14078Apelin receptorP35414APLNRHomo sapiens (Human)380
14079Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359

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