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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	CHEMBL32745
Molecular formula	C29H34N4O5S
IUPAC name	1-[1-[7-methyl-1-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]indole-5-carbonyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
Molecular weight	550.674
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.2
Synonyms	BDBM50219720 1-[1-[[1-[[(2R)-1-(Methylsulfonyl)-2-pyrrolidinyl]methyl]-7-methyl-1H-indole-5-yl]carbonyl]-4-piperidinyl]-4H-3,1-benzooxazine-2(1H)-one
Inchi Key	AUCCRZPRVDTNFD-RUZDIDTESA-N
Inchi ID	InChI=1S/C29H34N4O5S/c1-20-16-23(17-21-9-13-31(27(20)21)18-25-7-5-12-32(25)39(2,36)37)28(34)30-14-10-24(11-15-30)33-26-8-4-3-6-22(26)19-38-29(33)35/h3-4,6,8-9,13,16-17,24-25H,5,7,10-12,14-15,18-19H2,1-2H3/t25-/m1/s1
PubChem CID	44279637
ChEMBL	CHEMBL32745
IUPHAR	N/A
BindingDB	50219720
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	10.0 nM	PMID11992786	BindingDB
Ki	10.0 nM	PMID11992786	ChEMBL

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