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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	MLS001079319
Molecular formula	C25H29N3O4S
IUPAC name	N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
Molecular weight	467.584
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	3.6
Synonyms	CHEMBL1442774 N-[2-(furan-2-yl)-2-(piperidin-1-yl)ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide 1031515-94-2 MCULE-7313600783 SMR000709510 BDBM75550 N-[2-(2-furanyl)-2-(1-piperidinyl)ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide cid_24979260 N-[2-(furan-2-yl)-2-piperidin-1-yl-ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide Z31952279 N-[2-(2-furyl)-2-piperidino-ethyl]-4-(p-tolylsulfamoyl)benzamide HMS3035F10 N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide AKOS016867133 MolPort-009-510-371 [ Show all ]
Inchi Key	CHGMWIQKNZGDME-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H29N3O4S/c1-19-7-11-21(12-8-19)27-33(30,31)22-13-9-20(10-14-22)25(29)26-18-23(24-6-5-17-32-24)28-15-3-2-4-16-28/h5-14,17,23,27H,2-4,15-16,18H2,1H3,(H,26,29)
PubChem CID	24979260
ChEMBL	CHEMBL1442774
IUPHAR	N/A
BindingDB	75550
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	<29905.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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