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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	CHEMBL287067
Molecular formula	C23H23N3O3
IUPAC name	1-[1-(3-methyl-1H-indole-5-carbonyl)piperidin-4-yl]-4H-3,1-benzoxazin-2-one
Molecular weight	389.455
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.5
Synonyms	BDBM50219512
Inchi Key	AWMKQHBCAGVGPC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H23N3O3/c1-15-13-24-20-7-6-16(12-19(15)20)22(27)25-10-8-18(9-11-25)26-21-5-3-2-4-17(21)14-29-23(26)28/h2-7,12-13,18,24H,8-11,14H2,1H3
PubChem CID	44279556
ChEMBL	CHEMBL287067
IUPHAR	N/A
BindingDB	50219512
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	794.0 nM	PMID11992786	BindingDB
Ki	794.33 nM	PMID11992786	ChEMBL

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