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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Follicle-stimulating hormone receptor
Species	Homo sapiens (Human)
Gene	FSHR
Synonym	Follitropin receptor FSH receptor FSH-R LGR1
Disease	Female infertility African trypanosomiasis Contraception Ovarian cancer
Length	695
Amino acid sequence	MALLLVSLLAFLSLGSGCHHRICHCSNRVFLCQESKVTEIPSDLPRNAIELRFVLTKLRVIQKGAFSGFGDLEKIEISQNDVLEVIEADVFSNLPKLHEIRIEKANNLLYINPEAFQNLPNLQYLLISNTGIKHLPDVHKIHSLQKVLLDIQDNINIHTIERNSFVGLSFESVILWLNKNGIQEIHNCAFNGTQLDELNLSDNNNLEELPNDVFHGASGPVILDISRTRIHSLPSYGLENLKKLRARSTYNLKKLPTLEKLVALMEASLTYPSHCCAFANWRRQISELHPICNKSILRQEVDYMTQARGQRSSLAEDNESSYSRGFDMTYTEFDYDLCNEVVDVTCSPKPDAFNPCEDIMGYNILRVLIWFISILAITGNIIVLVILTTSQYKLTVPRFLMCNLAFADLCIGIYLLLIASVDIHTKSQYHNYAIDWQTGAGCDAAGFFTVFASELSVYTLTAITLERWHTITHAMQLDCKVQLRHAASVMVMGWIFAFAAALFPIFGISSYMKVSICLPMDIDSPLSQLYVMSLLVLNVLAFVVICGCYIHIYLTVRNPNIVSSSSDTRIAKRMAMLIFTDFLCMAPISFFAISASLKVPLITVSKAKILLVLFHPINSCANPFLYAIFTKNFRRDFFILLSKCGCYEMQAQIYRTETSSTVHNTHPRNGHCSSAPRVTNGSTYILVPLSHLAQN
UniProt	P23945
Protein Data Bank	4mqw
GPCR-HGmod model	N/A
3D structure model	This structure is from PDB ID 4mqw.
BioLiP	BL0274372
Therapeutic Target Database	T68334
ChEMBL	CHEMBL2024
IUPHAR	N/A
DrugBank	BE0000387

Ligand

Name	CHEMBL192135
Molecular formula	C33H32N2O2
IUPAC name	N-(1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinolin-6-yl)-4-phenylbenzamide
Molecular weight	488.631
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	6.8
Synonyms	Biphenyl-4-carboxylic acid (1-acetyl-2,2,4-trimethyl-4-phenyl-1,2,3,4-tetrahydro-quinolin-6-yl)-amide SCHEMBL1323199 AUNHRXZPYDMERZ-UHFFFAOYSA-N 1-Acetyl-4-phenyl-6-(4-phenylbenzoyl)amino-1,2,3,4-tetrahydro-2,2,4-trimethylquinoline BDBM50162936
Inchi Key	AUNHRXZPYDMERZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C33H32N2O2/c1-23(36)35-30-20-19-28(21-29(30)33(4,22-32(35,2)3)27-13-9-6-10-14-27)34-31(37)26-17-15-25(16-18-26)24-11-7-5-8-12-24/h5-21H,22H2,1-4H3,(H,34,37)
PubChem CID	11260332
ChEMBL	CHEMBL192135
IUPHAR	N/A
BindingDB	50162936
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	4.0 nM	PMID15771412	BindingDB,ChEMBL
IC50	10.0 nM	PMID15771412	BindingDB,ChEMBL
IC50	28.0 nM	PMID15771412	BindingDB,ChEMBL

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