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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	CHEMBL286084
Molecular formula	C22H20N2O4
IUPAC name	1-[1-(1-benzofuran-5-carbonyl)piperidin-4-yl]-4H-3,1-benzoxazin-2-one
Molecular weight	376.412
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.4
Synonyms	BDBM50219510
Inchi Key	BTLLWMUYMPGEPK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H20N2O4/c25-21(16-5-6-20-15(13-16)9-12-27-20)23-10-7-18(8-11-23)24-19-4-2-1-3-17(19)14-28-22(24)26/h1-6,9,12-13,18H,7-8,10-11,14H2
PubChem CID	44278986
ChEMBL	CHEMBL286084
IUPHAR	N/A
BindingDB	50219510
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	251.0 nM	PMID11992786	BindingDB
Ki	251.19 nM	PMID11992786	ChEMBL

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