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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	CHEMBL285013
Molecular formula	C25H28N4O5S
IUPAC name	N-[2-[5-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carbonyl]indol-1-yl]ethyl]methanesulfonamide
Molecular weight	496.582
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.1
Synonyms	BDBM50219517
Inchi Key	AARUTYYLKCCTJR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H28N4O5S/c1-35(32,33)26-11-15-27-12-8-18-16-19(6-7-22(18)27)24(30)28-13-9-21(10-14-28)29-23-5-3-2-4-20(23)17-34-25(29)31/h2-8,12,16,21,26H,9-11,13-15,17H2,1H3
PubChem CID	44279509
ChEMBL	CHEMBL285013
IUPHAR	N/A
BindingDB	50219517
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	316.0 nM	PMID11992786	BindingDB
Ki	316.23 nM	PMID11992786	ChEMBL

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