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GLASS

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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	CHEMBL3342790
Molecular formula	C15H11F3N4O2S
IUPAC name	N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide
Molecular weight	368.334
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	2.9
Synonyms	BDBM50032907 SCHEMBL15881430
Inchi Key	BELMOVXJXHEYJT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H11F3N4O2S/c16-15(17,18)11-4-6-12(7-5-11)25(23,24)21-14-8-10-20-22(14)13-3-1-2-9-19-13/h1-10,21H
PubChem CID	76685194
ChEMBL	CHEMBL3342790
IUPHAR	N/A
BindingDB	50032907
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	8.0 nM	PMID25408829	ChEMBL
EC50	8.0 nM	PMID25408829	BindingDB

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