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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	CHEMBL481730
Molecular formula	C22H23F3N2O2
IUPAC name	N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-4-[3-(trifluoromethyl)pyridin-2-yl]benzamide
Molecular weight	404.433
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	4.0
Synonyms	BDBM50412926
Inchi Key	BEWWKHUWENFXDW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H23F3N2O2/c23-22(24,25)19-4-1-11-26-20(19)16-7-9-17(10-8-16)21(28)27(13-15-5-6-15)14-18-3-2-12-29-18/h1,4,7-11,15,18H,2-3,5-6,12-14H2
PubChem CID	44571492
ChEMBL	CHEMBL481730
IUPHAR	N/A
BindingDB	50412926
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	199.53 nM	PMID19095447	ChEMBL
Ki	200.0 nM	PMID19095447	BindingDB

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