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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	CHEMBL456254
Molecular formula	C27H27N3O5S
IUPAC name	2,5-dimethoxy-N-(6-methoxypyridin-3-yl)-N-[[5-(2-methylphenyl)pyridin-2-yl]methyl]benzenesulfonamide
Molecular weight	505.589
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	4.3
Synonyms	BDBM50413725
Inchi Key	BPXNOWQWXUQATD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H27N3O5S/c1-19-7-5-6-8-24(19)20-9-10-21(28-16-20)18-30(22-11-14-27(35-4)29-17-22)36(31,32)26-15-23(33-2)12-13-25(26)34-3/h5-17H,18H2,1-4H3
PubChem CID	44581267
ChEMBL	CHEMBL456254
IUPHAR	N/A
BindingDB	50413725
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1.58 nM	PMID19081251	BindingDB
Ki	1.585 nM	PMID19081251	ChEMBL

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