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GLASS

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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	CHEMBL417003
Molecular formula	C29H40N2O3
IUPAC name	(3S)-3-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]-4-methyl-1-octylpiperazine-2,5-dione
Molecular weight	464.65
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	6.8
Synonyms	BDBM50142658 SCHEMBL6140404 (S)-3-(4''-Methoxy-3'',5''-dimethyl-biphenyl-4-ylmethyl)-4-methyl-1-octyl-piperazine-2,5-dione
Inchi Key	GAMAXDMTFZBRFJ-SANMLTNESA-N
Inchi ID	InChI=1S/C29H40N2O3/c1-6-7-8-9-10-11-16-31-20-27(32)30(4)26(29(31)33)19-23-12-14-24(15-13-23)25-17-21(2)28(34-5)22(3)18-25/h12-15,17-18,26H,6-11,16,19-20H2,1-5H3/t26-/m0/s1
PubChem CID	44293019
ChEMBL	CHEMBL417003
IUPHAR	N/A
BindingDB	50142658
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
EC50	1200.0 nM	PMID15026057	BindingDB,ChEMBL

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