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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	CHEMBL513488
Molecular formula	C27H34N4O5
IUPAC name	(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-1-[1-(2-methyl-1,3-oxazol-4-yl)-2-morpholin-4-yl-2-oxoethyl]-6-(2-methylpropyl)piperazine-2,5-dione
Molecular weight	494.592
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.6
Synonyms	BDBM50262151 (3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-isobutyl-1-(1-(2-methyloxazol-4-yl)-2-morpholino-2-oxoethyl)piperazine-2,5-dione
Inchi Key	CDBUNSHQNIFGRK-YOQGVNIDSA-N
Inchi ID	InChI=1S/C27H34N4O5/c1-16(2)12-22-25(32)29-23(20-13-18-6-4-5-7-19(18)14-20)26(33)31(22)24(21-15-36-17(3)28-21)27(34)30-8-10-35-11-9-30/h4-7,15-16,20,22-24H,8-14H2,1-3H3,(H,29,32)/t22-,23-,24?/m1/s1
PubChem CID	44577873
ChEMBL	CHEMBL513488
IUPHAR	N/A
BindingDB	50262151
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	3.0 nM	PMID18639455	BindingDB,ChEMBL

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