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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	AC1MLEST
Molecular formula	C21H25N5O5S
IUPAC name	4-amino-5-N-(1,3-benzodioxol-5-ylmethyl)-5-N-[2-(cyclohexylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
Molecular weight	459.521
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	2.3
Synonyms	AKOS000798890 CHEMBL1555290 4-amino-5-N-(1,3-benzodioxol-5-ylmethyl)-5-N-[2-(cyclohexylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide ZINC12709599 ASN 03367688 NCGC00161846-01 Oprea1_461262 [ Show all ]
Inchi Key	VCMJZLGECJCXSU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H25N5O5S/c22-17-18(20(23)28)25-32-19(17)21(29)26(10-16(27)24-13-4-2-1-3-5-13)9-12-6-7-14-15(8-12)31-11-30-14/h6-8,13H,1-5,9-11,22H2,(H2,23,28)(H,24,27)
PubChem CID	3172428
ChEMBL	CHEMBL1555290
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Potency	5011.9 nM	PubChem BioAssay data set	ChEMBL

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