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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	Butanedioic acid, compd. with 5-methoxy-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole (1:1)
Molecular formula	C18H22N2O5
IUPAC name	butanedioic acid;5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
Molecular weight	346.383
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	None
Synonyms	CCG-101077 NC00327 AC1L337B HMS2052M03 ru24969 AKOS015962510 MLS000758988 UNII-RKG24J8KJR 5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole succinate CPD000466294 RKG24J8KJR AC1Q5VR3 HMS3394M03 SAM001247095 1H-Indole, 5-methoxy-3-(1,2,3,6-tetrahydro-4-pyridinyl)-, butanedioate (1:1) BCP08976 C14H16N2O.C4H6O4 MLS001424154 5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1h-indole succinate(1:1) CTK0I0742 RU 24969 succinate ACMC-20c9db Butanedioic acid, compd. with 5-methoxy-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole LS-177096 SMR000466294 1H-Indole, 5-methoxy-3-(1,2,3,6-tetrahydro-4-pyridinyl)-, compd. with butanedioic acid (1:1) [ Show all ]
Inchi Key	AFNQSRYIQUAMNM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H16N2O.C4H6O4/c1-17-11-2-3-14-12(8-11)13(9-16-14)10-4-6-15-7-5-10;5-3(6)1-2-4(7)8/h2-4,8-9,15-16H,5-7H2,1H3;1-2H2,(H,5,6)(H,7,8)
PubChem CID	108028
ChEMBL	N/A
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
Ki	12.3 nM	PMID7984267	PDSP
Ki	12.4 nM	PMID1315531	PDSP

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