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Ligand

Name3,5-dimethyl-4-[(4-nitrophenyl)thio]-1-(phenylsulfonyl)-1H-pyrazole
Molecular formulaC17H15N3O4S2
IUPAC name1-(benzenesulfonyl)-3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazole
Molecular weight389.444
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.2
SynonymsAKOS001631685
Oprea1_051797
1-(benzenesulfonyl)-3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazole
EU-0072762
SMR000186131
[ Show all ]
Inchi KeyJTPVYYMJQNPEDF-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H15N3O4S2/c1-12-17(25-15-10-8-14(9-11-15)20(21)22)13(2)19(18-12)26(23,24)16-6-4-3-5-7-16/h3-11H,1-2H3
PubChem CID1368271
ChEMBLCHEMBL1518470
IUPHARN/A
BindingDBN/A
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
159688Lutropin-choriogonadotropic hormone receptorP22888LHCGRHomo sapiens (Human)699
159689Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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