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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	CHEMBL473106
Molecular formula	C17H18N2O2S2
IUPAC name	3-ethyl-4-[1-(furan-2-ylmethyl)-2,6-dimethylpyridin-4-ylidene]-2-sulfanylidene-1,3-thiazolidin-5-one
Molecular weight	346.463
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.4
Synonyms	AC1M69RW MCULE-5239245735 3-ethyl-4-(1-(furan-2-ylmethyl)-2,6-dimethylpyridin-4(1H)-ylidene)-2-thioxothiazolidin-5-one Oprea1_031057 380344-90-1 HMS1761B01 ZINC3252138 AKOS034457995 MLS000055414 3-ethyl-4-[1-(furan-2-ylmethyl)-2,6-dimethylpyridin-4-ylidene]-2-sulfanylidene-1,3-thiazolidin-5-one SMR000066106 HMS2174A07 BDBM50247213 MolPort-004-000-989 3-ethyl-4-{1-[(furan-2-yl)methyl]-2,6-dimethyl-1,4-dihydropyridin-4-ylidene}-2-sulfanylidene-1,3-thiazolidin-5-one cid_2369069 Z56821874 [ Show all ]
Inchi Key	AQWLITYTSYRLNQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H18N2O2S2/c1-4-18-15(16(20)23-17(18)22)13-8-11(2)19(12(3)9-13)10-14-6-5-7-21-14/h5-9H,4,10H2,1-3H3
PubChem CID	2369069
ChEMBL	CHEMBL473106
IUPHAR	N/A
BindingDB	50247213
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	16681.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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