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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	CHEMBL285012
Molecular formula	C27H32N4O5S
IUPAC name	N-methyl-N-[3-[5-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carbonyl]indol-1-yl]propyl]methanesulfonamide
Molecular weight	524.636
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	2.6
Synonyms	BDBM50219759
Inchi Key	CFEMQYFHLLIQOO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H32N4O5S/c1-28(37(2,34)35)13-5-14-29-15-10-20-18-21(8-9-24(20)29)26(32)30-16-11-23(12-17-30)31-25-7-4-3-6-22(25)19-36-27(31)33/h3-4,6-10,15,18,23H,5,11-14,16-17,19H2,1-2H3
PubChem CID	44279433
ChEMBL	CHEMBL285012
IUPHAR	N/A
BindingDB	50219759
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	158.0 nM	PMID11992786	BindingDB
Ki	158.49 nM	PMID11992786	ChEMBL

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