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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	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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