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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	CHEMBL262384
Molecular formula	C29H29N5O7
IUPAC name	2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[[5-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carbonyl]-1-benzofuran-2-yl]methyl]acetamide
Molecular weight	559.579
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.6
Synonyms	BDBM50219727 1-[1-[2-[[(2,5-Dioxo-3-methyl-1-imidazolidinylacetyl)amino]methyl]-5-benzofuranylcarbonyl]-4-piperidinyl]-1,4-dihydro-2H-3,1-benzoxazine-2-one
Inchi Key	AJOOQKDCBQLRIU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H29N5O7/c1-31-16-26(36)33(28(31)38)15-25(35)30-14-22-13-20-12-18(6-7-24(20)41-22)27(37)32-10-8-21(9-11-32)34-23-5-3-2-4-19(23)17-40-29(34)39/h2-7,12-13,21H,8-11,14-17H2,1H3,(H,30,35)
PubChem CID	44279410
ChEMBL	CHEMBL262384
IUPHAR	N/A
BindingDB	50219727
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	3.162 nM	PMID11992786	ChEMBL
Ki	3.2 nM	PMID11992786	BindingDB

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