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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	CHEMBL3263667
Molecular formula	C32H38N6O4
IUPAC name	2-cyclopropyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide
Molecular weight	570.694
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	3.4
Synonyms	BDBM50012105 SCHEMBL14651603
Inchi Key	BUGHVZIQXBALLZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C32H38N6O4/c1-22-6-2-3-7-27(22)36-16-18-37(19-17-36)28-12-11-24(30(40)33-13-5-15-38-14-4-8-29(38)39)20-25(28)34-31(41)26-21-42-32(35-26)23-9-10-23/h2-3,6-7,11-12,20-21,23H,4-5,8-10,13-19H2,1H3,(H,33,40)(H,34,41)
PubChem CID	71233981
ChEMBL	CHEMBL3263667
IUPHAR	N/A
BindingDB	50012105
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	>100.0 nM	PMID27096038	BindingDB,ChEMBL
EC50	100.0 nM	PMID27096038	BindingDB,ChEMBL
EC50	99000.0 nM	PMID24685543	BindingDB,ChEMBL

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