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GLASS

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

Name	Oxytocin receptor
Species	Homo sapiens (Human)
Gene	OXTR
Synonym	OTR OT-R OT receptor
Disease	Threatened pre-term labour Postpartum haemorrhage Premature ejaculation Miscarriage Female sexual dysfunction Erectile dysfunction Autism Androgen decline [ Show all ]
Length	389
Amino acid sequence	MEGALAANWSAEAANASAAPPGAEGNRTAGPPRRNEALARVEVAVLCLILLLALSGNACVLLALRTTRQKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLATWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYITWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAEAPEGAAAGDGGRVALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDANAPKEASAFIIVMLLASLNSCCNPWIYMLFTGHLFHELVQRFLCCSASYLKGRRLGETSASKKSNSSSFVLSHRSSSQRSCSQPSTA
UniProt	P30559
Protein Data Bank	N/A
GPCR-HGmod model	P30559
3D structure model	This predicted structure model is from GPCR-EXP P30559.
BioLiP	N/A
Therapeutic Target Database	T84486
ChEMBL	CHEMBL2049
IUPHAR	369
DrugBank	BE0000844

Ligand

Name	CHEMBL467153
Molecular formula	C21H20N4O3
IUPAC name	[(2R,4Z)-4-methoxyimino-2-(1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[4-(2-methylphenyl)phenyl]methanone
Molecular weight	376.416
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.3
Synonyms	BDBM50262152 (R)-1-(2''-Methyl-biphenyl-4-carbonyl)-5-[1,2,4]oxadiazol-5-yl-pyrrolidin-3-one O-methyl-oxime
Inchi Key	AHPMMJNOYVXNON-RJDQKLELSA-N
Inchi ID	InChI=1S/C21H20N4O3/c1-14-5-3-4-6-18(14)15-7-9-16(10-8-15)21(26)25-12-17(24-27-2)11-19(25)20-22-13-23-28-20/h3-10,13,19H,11-12H2,1-2H3/b24-17-/t19-/m1/s1
PubChem CID	44577874
ChEMBL	CHEMBL467153
IUPHAR	N/A
BindingDB	50262152
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	50.0 nM	PMID18639455	BindingDB,ChEMBL

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