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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL364005
Molecular formula	C14H15ClN2
IUPAC name	5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
Molecular weight	246.738
Hydrogen bond acceptor	1
Hydrogen bond donor	2
XlogP	2.8
Synonyms	5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole CHEBI:92829 EMD-386088 compound 18 [PMID 16055331] NCGC00161402-01 5-chloro-2-methyl-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole BDBM50171235 EMD 386088 EMD386088 A830276 D0G7QT SCHEMBL1548928 5-Chloro-2-methyl-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole BRD-K47659338-003-01-0 EMD-386,088 54635-62-0 GTPL8428 5-chloranyl-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole AKOS023409828 DTXSID30436055 ZINC9350 [ Show all ]
Inchi Key	BPPGPYJBCVXILI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H15ClN2/c1-9-14(10-4-6-16-7-5-10)12-8-11(15)2-3-13(12)17-9/h2-4,8,16-17H,5-7H2,1H3
PubChem CID	10131112
ChEMBL	CHEMBL364005
IUPHAR	8428
BindingDB	50171235
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	110.0 nM	PMID16055331	BindingDB,ChEMBL

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