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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL372554
Molecular formula	C31H40N4O4
IUPAC name	(2R)-2-(4-acetamidophenyl)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide
Molecular weight	532.685
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	4.1
Synonyms	BDBM50002413
Inchi Key	AUWMENUQFJRYPU-ZONZVBGPSA-N
Inchi ID	InChI=1S/C31H40N4O4/c1-18(2)15-25-28(37)33-26(23-16-21-9-7-8-10-22(21)17-23)30(39)35(25)27(29(38)34-31(4,5)6)20-11-13-24(14-12-20)32-19(3)36/h7-14,18,23,25-27H,15-17H2,1-6H3,(H,32,36)(H,33,37)(H,34,38)/t25-,26-,27-/m1/s1
PubChem CID	11685194
ChEMBL	CHEMBL372554
IUPHAR	N/A
BindingDB	50002413
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1.995 nM	PMID16250654	ChEMBL
Ki	2.0 nM	PMID16250654	BindingDB

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