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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	CHEMBL195534
Molecular formula	C20H24N2O
IUPAC name	1-(6-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone
Molecular weight	308.425
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.6
Synonyms	1-(6-Amino-2,2,4-trimethyl-4-phenyl-3,4-dihydro-2H-quinolin-1-yl)-ethanone AKOS000622291 MolPort-001-905-575 STK093961 1-acetyl-6-amino-2,2,4-trimethyl-4-phenyl-1,2,3,4-tetrahydroquinoline BBL015609 CTK7D8345 RTWPATFTOPMBPW-UHFFFAOYSA-N CBMicro_015198 HMS651P02 SR-01000450228-1 1-(6-amino-2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethanone AKOS021993566 Oprea1_660841 1-acetyl-6-amino-4-phenyl-1,2,3,4-tetrahydro-2,2,4-trimethylquinoline BDBM50410305 DivK1c_004124 SCHEMBL1322285 AC1MDHVC CDS1_003084 MCULE-1669012183 ST50987400 1-(6-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone BAS 01520500 ChemDiv1_022860 Oprea1_724117 332904-33-3 BIM-0015308.P001 EU-0006731 SR-01000450228 [ Show all ]
Inchi Key	RTWPATFTOPMBPW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H24N2O/c1-14(23)22-18-11-10-16(21)12-17(18)20(4,13-19(22,2)3)15-8-6-5-7-9-15/h5-12H,13,21H2,1-4H3
PubChem CID	2837084
ChEMBL	CHEMBL195534
IUPHAR	N/A
BindingDB	50410305
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	4400.0 nM	PMID15771412	BindingDB,ChEMBL

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