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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.
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GPCR

Name	Oxytocin receptor
Species	Rattus norvegicus (Rat)
Gene	Oxtr
Synonym	OT receptor OT-R OTR
Disease	N/A for non-human GPCRs
Length	388
Amino acid sequence	MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA
UniProt	P70536
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3996
IUPHAR	369
DrugBank	N/A

Ligand

Name	CHEMBL127119
Molecular formula	C24H30N2O
IUPAC name	N-(2-adamantyl)spiro[indene-1,4'-piperidine]-1'-carboxamide
Molecular weight	362.517
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	4.7
Synonyms	N-Tricyclo(3.3.1.1 (3,7))dec-2-yl-spiro(1H-indene-1,4'-piperidine)-1'-carboxamide BDBM50001425 DUODZCMEHSVISH-UHFFFAOYSA-N 1''N-(2-adamantyl)spiro[1H-indene-1,4''-(hexahydropyridine)]-1''-carboxamide SCHEMBL7382184 N-(Adamantan-2-yl)spiro[piperidine-4,1'-[1H]indene]-1-carboxamide [ Show all ]
Inchi Key	DUODZCMEHSVISH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H30N2O/c27-23(25-22-19-12-16-11-17(14-19)15-20(22)13-16)26-9-7-24(8-10-26)6-5-18-3-1-2-4-21(18)24/h1-6,16-17,19-20,22H,7-15H2,(H,25,27)
PubChem CID	19908315
ChEMBL	CHEMBL127119
IUPHAR	N/A
BindingDB	50001425
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	10000.0 nM	PMID1331449	BindingDB,ChEMBL

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