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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	CHEMBL341108
Molecular formula	C19H18FNO2S
IUPAC name	1'-(4-fluorophenyl)sulfonylspiro[indene-1,4'-piperidine]
Molecular weight	343.416
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.9
Synonyms	1'-((4-Fluorophenyl)sulfonyl)spiro(1H-indene-1,4'-piperidine) BDBM50001410 1-[(4-Fluorophenyl)sulfonyl]spiro[piperidine-4,1'-[1H]indene] CFQNGTXFPLMLDT-UHFFFAOYSA-N 1''-(4-fluorophenylsulfonyl)spiro[1H-indene-1,4''-(hexahydropyridine)] ZINC13728205 [ Show all ]
Inchi Key	CFQNGTXFPLMLDT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H18FNO2S/c20-16-5-7-17(8-6-16)24(22,23)21-13-11-19(12-14-21)10-9-15-3-1-2-4-18(15)19/h1-10H,11-14H2
PubChem CID	9997556
ChEMBL	CHEMBL341108
IUPHAR	N/A
BindingDB	50001410
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	7100.0 nM	PMID1331449	BindingDB,ChEMBL

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