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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	CHEMBL281044
Molecular formula	C34H30N4O6
IUPAC name	N-[[5-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carbonyl]-1-benzofuran-2-yl]methyl]-2-(1-oxoisoquinolin-2-yl)acetamide
Molecular weight	590.636
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.8
Synonyms	BDBM50219764
Inchi Key	AQFSRNPFFXJBQW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C34H30N4O6/c39-31(20-37-14-11-22-5-1-3-7-28(22)33(37)41)35-19-27-18-25-17-23(9-10-30(25)44-27)32(40)36-15-12-26(13-16-36)38-29-8-4-2-6-24(29)21-43-34(38)42/h1-11,14,17-18,26H,12-13,15-16,19-21H2,(H,35,39)
PubChem CID	44279909
ChEMBL	CHEMBL281044
IUPHAR	N/A
BindingDB	50219764
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	6.3 nM	PMID11992787	BindingDB
Ki	6.31 nM	PMID11992787	ChEMBL

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