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GLASS

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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	CHEMBL474219
Molecular formula	C23H27NO4S
IUPAC name	N-(cyclopropylmethyl)-4-(2-methylsulfonylphenyl)-N-(oxolan-2-ylmethyl)benzamide
Molecular weight	413.532
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.4
Synonyms	BDBM50412917
Inchi Key	BRUMRVHYUJSDAO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H27NO4S/c1-29(26,27)22-7-3-2-6-21(22)18-10-12-19(13-11-18)23(25)24(15-17-8-9-17)16-20-5-4-14-28-20/h2-3,6-7,10-13,17,20H,4-5,8-9,14-16H2,1H3
PubChem CID	44572046
ChEMBL	CHEMBL474219
IUPHAR	N/A
BindingDB	50412917
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	630.96 nM	PMID19095447	BindingDB,ChEMBL

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