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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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GPCR

Name	Gonadotropin-releasing hormone receptor
Species	Macaca mulatta (Rhesus macaque)
Gene	GNRHR
Synonym	GnRH receptor GnRH-R
Disease	N/A for non-human GPCRs
Length	59
Amino acid sequence	VAFATSFTVCWTPYYVLGIWYWFDPEMLNRVSDPVNHFFFLFAFLNPCFDPLIYGYFSL
UniProt	Q8SPZ1
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5647
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	T 98475
Molecular formula	C37H37F2N3O4S
IUPAC name	propan-2-yl 3-[[benzyl(methyl)amino]methyl]-7-[(2,6-difluorophenyl)methyl]-2-[4-(2-methylpropanoylamino)phenyl]-4-oxothieno[2,3-b]pyridine-5-carboxylate
Molecular weight	657.777
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	7.5
Synonyms	J-012487 AKOS024457145 D02NCO NCGC00167759-01 Thieno(2,3-b)pyridine-5-carboxylic acid, 7-((2,6-difluorophenyl)methyl)-4,7-dihydro-2-(4-((2-methyl-1-oxopropyl)amino)phenyl)-3-((methyl(phenylmethyl)amino)methyl)-4-oxo-, 1-methylethyl ester, hydrochloride 192887-28-8 CHEBI:93085 FT-0761854 RT-015869 CHEMBL71917 Isopropyl 3-((benzyl(methyl)amino)methyl)-7-((2,6-difluorophenyl)methyl)-2-(4-(2-methylpropanoylamino)phenyl)-4-oxo-thieno(2,3-b)pyridine-5-carboxylate L018316 T-98475 BDBM50067485 DTXSID90432134 Propan-2-yl 3-((benzyl(methyl)amino)methyl)-7-((2,6-difluorophenyl)methyl)-2-(4-(2-methylpropanoylamino)phenyl)-4-oxothieno(2,3-b)pyridine-5-carboxylate UNII-F1KLT23O3A 199119-18-1 CHEMBL544440 GTPL1184 SCHEMBL7497514 7-[(2,6-Difluorophenyl)methyl]-4,7-dihydro-2-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-3-[[methyl(phenylmethyl)amino]methyl]-4-oxo-thieno[2,3-b]pyridine-5-carboxylic acid 1-methylethyl ester CTK8E7257 Isopropyl 3-(N-benzyl-N-methylaminomethyl)-7-(2,6-difluorobenzyl)-4,7-dihydro-2-(4-isobutyrylaminophenyl)-4-oxothieno[2,3-b]pyridine-5-carboxylate hydrochloride MolPort-023-276-465 T98475 BRD-K62221994-001-01-8 F1KLT23O3A propan-2-yl 7-[(2,6-difluorophenyl)methyl]-3-[(methyl-(phenylmethyl)amino)methyl]-2-[4-(2-methylpropanoylamino)phenyl]-4-oxothieno[3,2-e]pyridine-5-carboxylate ZINC4424097 3-[(Benzyl-methyl-amino)-methyl]-7-(2,6-difluoro-benzyl)-2-(4-isobutyrylamino-phenyl)-4-oxo-4,7-dihydro-thieno[2,3-b]pyridine-5-carboxylic acid isopropyl ester; hydrochloride HMS3269M21 [ Show all ]
Inchi Key	RANJJVIMTOIWIN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C37H37F2N3O4S/c1-22(2)35(44)40-26-16-14-25(15-17-26)34-28(19-41(5)18-24-10-7-6-8-11-24)32-33(43)29(37(45)46-23(3)4)21-42(36(32)47-34)20-27-30(38)12-9-13-31(27)39/h6-17,21-23H,18-20H2,1-5H3,(H,40,44)
PubChem CID	9874838
ChEMBL	CHEMBL71917
IUPHAR	1184
BindingDB	50067485
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	4.0 nM	PMID18419112	BindingDB,ChEMBL

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