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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	CHEMBL31986
Molecular formula	C23H22N4O3S
IUPAC name	1-[1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-4H-3,1-benzoxazin-2-one
Molecular weight	434.514
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.3
Synonyms	BDBM50219728 1-[1-[2-(4-Pyridyl)-4-methyl-5-thiazolylcarbonyl]-4-piperidinyl]-1,4-dihydro-2H-3,1-benzoxazine-2-one
Inchi Key	AJMCFRCKANGIPC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H22N4O3S/c1-15-20(31-21(25-15)16-6-10-24-11-7-16)22(28)26-12-8-18(9-13-26)27-19-5-3-2-4-17(19)14-30-23(27)29/h2-7,10-11,18H,8-9,12-14H2,1H3
PubChem CID	44278983
ChEMBL	CHEMBL31986
IUPHAR	N/A
BindingDB	50219728
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	125.89 nM	PMID11992786	ChEMBL
Ki	126.0 nM	PMID11992786	BindingDB

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