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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.
Go to the GPCR page and check other ligands which interact with it.
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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	CHEMBL1093341
Molecular formula	C18H18N2O4
IUPAC name	N-ethyl-5-methoxy-N-(6-methoxypyridin-3-yl)-1-benzofuran-2-carboxamide
Molecular weight	326.352
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.2
Synonyms	BDBM50314520 N-ethyl-5-methoxy-N-(6-methoxypyridin-3-yl)benzofuran-2-carboxamide
Inchi Key	ATBXVWAUNHCVGT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H18N2O4/c1-4-20(13-5-8-17(23-3)19-11-13)18(21)16-10-12-9-14(22-2)6-7-15(12)24-16/h5-11H,4H2,1-3H3
PubChem CID	46883885
ChEMBL	CHEMBL1093341
IUPHAR	N/A
BindingDB	50314520
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	85.0 nM	PMID20189387	BindingDB,ChEMBL

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