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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL1093776
Molecular formula	C19H20N4O2
IUPAC name	N-ethyl-N-(6-methoxypyridin-3-yl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
Molecular weight	336.395
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.2
Synonyms	BDBM50314515 N-ethyl-N-(6-methoxypyridin-3-yl)-3-p-tolyl-1H-pyrazole-5-carboxamide
Inchi Key	BQCOSURMPNVNKW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H20N4O2/c1-4-23(15-9-10-18(25-3)20-12-15)19(24)17-11-16(21-22-17)14-7-5-13(2)6-8-14/h5-12H,4H2,1-3H3,(H,21,22)
PubChem CID	46883829
ChEMBL	CHEMBL1093776
IUPHAR	N/A
BindingDB	50314515
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	41.0 nM	PMID20189387	BindingDB,ChEMBL

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