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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	CHEMBL200682
Molecular formula	C22H21ClN2O4S
IUPAC name	2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(4-chloro-2-methylphenyl)acetamide
Molecular weight	444.93
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.5
Synonyms	AKOS000612649 N-(4-chloro-2-methylphenyl)-2-(N-(4-methoxyphenyl)phenylsulfonamido)acetamide Cambridge id 5575070 Oprea1_115186 MCULE-3963892983 STK360907 BAS 02591936 N-(4-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)(phenylsulfonyl)amino]acetamid e SCHEMBL744176 AB00089950-01 MolPort-001-981-944 ZINC875778 BDBM50178184 N-(4-chloro-2-methylphenyl)-N~2~-(4-methoxyphenyl)-N~2~-(phenylsulfonyl)glycinamide ST50265312 [ Show all ]
Inchi Key	AZWCDJJIOYIMQH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H21ClN2O4S/c1-16-14-17(23)8-13-21(16)24-22(26)15-25(18-9-11-19(29-2)12-10-18)30(27,28)20-6-4-3-5-7-20/h3-14H,15H2,1-2H3,(H,24,26)
PubChem CID	1134627
ChEMBL	CHEMBL200682
IUPHAR	N/A
BindingDB	50178184
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	800.0 nM	PMID16302826	BindingDB,ChEMBL

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