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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	RU 24969
Molecular formula	C14H16N2O
IUPAC name	5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
Molecular weight	228.295
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	1.8
Synonyms	AC1Q4F1Q FT-0745673 NCGC00024867-01 ZINC2568243 5-Methoxy-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole(RU-24969) BDBM81498 CTK1J4546 KRVMLPUDAOWOGN-UHFFFAOYSA-N NSC_108028 SCHEMBL2359264 2ISE72RACC 5-methoxy-3-(1,2,5,6-tetrahydropyrid-4-yl)indole AB00698348-04 CAS_108028 DTXSID40276045 MCULE-3532976182 PDSP2_001601 Tocris-0912 5-methoxy-3-(1,2,3,6-tetrahydro-4-pyridyl)-1h-indole AKOS005135871 CHEMBL18785 GTPL23 NCGC00024867-02 RU-24,969 1H-Indole, 5-methoxy-3-(1,2,3,6-tetrahydro-4-pyridinyl)- 5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole Biomol-NT_000116 D03PJW L001328 PDSP1_001617 SR-01000597981 3-(1,2,3,6-tetrahydropyridin-4-yl)-5-methoxy-1H-indole 66611-26-5 AC1L337E CHEBI:92005 EN300-39806 MolPort-003-983-322 PDSP2_001607 UNII-2ISE72RACC 5-Methoxy-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole API0006969 CS-3218 HY-16688 NE18708 RU-24969 5-methoxy-3-(1,2,3,6-tetrahydropyridine-4-yl)-1H-indole BPBio1_000177 DB-073775 LS-187325 PDSP1_001623 SR-01000597981-1 5-methoxy-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole [ Show all ]
Inchi Key	KRVMLPUDAOWOGN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H16N2O/c1-17-11-2-3-14-12(8-11)13(9-16-14)10-4-6-15-7-5-10/h2-4,8-9,15-16H,5-7H2,1H3
PubChem CID	108029
ChEMBL	CHEMBL18785
IUPHAR	23
BindingDB	81498
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	7.94328 nM	PMID1557407	IUPHAR
Ki	12.3 nM	PMID7984267	BindingDB
Ki	12.4 nM	PMID1315531	BindingDB

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