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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	5-hydroxytryptamine receptor 1B
Species	Homo sapiens (Human)
Gene	HTR1B
Synonym	5-HT1B receptor 5-HT-1B 5-HT-1D-beta 5-HT1B Serotonin 1D beta receptor HTR1D2 5-HT1B serotonin receptor 5-HT1DB 5-HT1Dbeta 5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled serotonin receptor 1B S12 [ Show all ]
Disease	Chronic schizophrenics Major depressive disorder Migraine headaches Mood disorder Psychotic disorders Anxiety disorder [ Show all ]
Length	390
Amino acid sequence	MEEPGAQCAPPPPAGSETWVPQANLSSAPSQNCSAKDYIYQDSISLPWKVLLVMLLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASILHLCVIALDRYWAITDAVEYSAKRTPKRAAVMIALVWVFSISISLPPFFWRQAKAEEEVSECVVNTDHILYTVYSTVGAFYFPTLLLIALYGRIYVEARSRILKQTPNRTGKRLTRAQLITDSPGSTSSVTSINSRVPDVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHLAIFDFFTWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTS
UniProt	P28222
Protein Data Bank	4iar, 6g79, 5v54
GPCR-HGmod model	P28222
3D structure model	This structure is from PDB ID 4iar.
BioLiP	BL0239857, BL0403524,BL0403525, BL0417722
Therapeutic Target Database	T07806
ChEMBL	CHEMBL1898
IUPHAR	2
DrugBank	BE0000797

Ligand

Name	CP 93129
Molecular formula	C12H13N3O
IUPAC name	3-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-dihydropyrrolo[3,2-b]pyridin-5-one
Molecular weight	215.256
Hydrogen bond acceptor	2
Hydrogen bond donor	3
XlogP	-0.1
Synonyms	3-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-dihydro-5H-pyrrolo[3,2-b]pyridin-5-one AC1L3XQ4 CP-93,129 NCGC00024952-01 3-(1,2,5,6-tetrahydropyrid-4-yl)pyrrolo(3,2-b)pyrid-5-one CAS_127792-75-0 D00FHZ SCHEMBL781544 127792-75-0 879089-64-2 CHEMBL304008 L000200 ZINC4439 3-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-dihydropyrrolo[2,3-e]pyridin-5-one BDBM84737 CP-93129 PDSP1_000796 1,4-Dihydro-3-(1,2,3,6-tetrahydro-4-pyridinyl)-5H-pyrrolo[3,2-b]pyridin-5-one Hydrochloride Hydrate 5-hydroxy-3(4-1,2,5,6-tetrahydropyridyl)-4-azaindole CHEBI:93436 DTXSID50155670 SCHEMBL9696192 3-(1,2,3,6-Tetrahydro-pyridin-4-yl)-1,4-dihydro-pyrrolo[3,2-b]pyridin-5-one AB07658 LS-184387 3-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-dihydropyrrolo[3,2-b]pyridin-5-one BRD-K81876028-300-01-2 CP93129 PDSP2_000784 5H-Pyrrolo(3,2-b)pyridin-5-one, 1,4-dihydro-3-(1,2,3,6-tetrahydro-4-pyridinyl)- GTPL11 Tocris-1032 [ Show all ]
Inchi Key	PJYVGMRFPFNZCT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H13N3O/c16-11-2-1-10-12(15-11)9(7-14-10)8-3-5-13-6-4-8/h1-3,7,13-14H,4-6H2,(H,15,16)
PubChem CID	124007
ChEMBL	CHEMBL304008
IUPHAR	11
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<10000.0 nM	PMID2374139	ChEMBL

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