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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	CHEMBL1092499
Molecular formula	C18H20FN3O3
IUPAC name	3-(4-fluoro-2-methylphenoxy)-N-(6-methoxypyridin-3-yl)-N-methylazetidine-1-carboxamide
Molecular weight	345.374
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	2.5
Synonyms	BDBM50313810 3-(4-fluoro-2-methylphenoxy)-N-(6-methoxypyridin-3-yl)-N-methylazetidine-1-carboxamide
Inchi Key	AHFWVQQNXZZLQH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H20FN3O3/c1-12-8-13(19)4-6-16(12)25-15-10-22(11-15)18(23)21(2)14-5-7-17(24-3)20-9-14/h4-9,15H,10-11H2,1-3H3
PubChem CID	46881861
ChEMBL	CHEMBL1092499
IUPHAR	N/A
BindingDB	50313810
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	112.0 nM	PMID20172721	BindingDB,ChEMBL

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