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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	2-Methyl-5-hydroxytryptamine
Molecular formula	C11H14N2O
IUPAC name	3-(2-aminoethyl)-2-methyl-1H-indol-5-ol
Molecular weight	190.246
Hydrogen bond acceptor	2
Hydrogen bond donor	3
XlogP	1.4
Synonyms	2-Me-5-HT 5-HT,2-Me BDBM50014406 CHEMBL266591 LS-83657 NCGC00024652-02 AC-30467 BRD-K64137799-003-01-7 GTPL218 NCGC00015628-02 PDSP1_001520 1H-Indol-5-ol,3-(2-aminoethyl)-2-methyl- 3-(2-Aminoethyl)-2-methyl-1H-indol-5-ol AJ-41965 CHEBI:31085 Lopac-M-109 NCGC00015628-05 Tocris-0558 2-Me-5HT Biomol-NT_000098 D00CRA MolPort-020-248-203 NCGC00024652-03 2-Methylserotonin AC1L1BRL C13665 KB-231570 NCGC00015628-03 PDSP2_001504 2-Me 5-HT 3-(2-Aminoethyl)-5-hydroxy-2-methylindole AKOS016362704 Lopac0_000813 NCGC00024652-01 ZINC2572146 2-Methyl-5-HT 78263-90-8 BPBio1_001361 DTXSID80228927 NCGC00015628-01 NS-01775 1H-Indol-5-ol, 3-(2-aminoethyl)-2-methyl- AC1Q2F2H CCG-204897 L000061 NCGC00015628-04 SCHEMBL399028 [ Show all ]
Inchi Key	WYWNEDARFVJQSG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H14N2O/c1-7-9(4-5-12)10-6-8(14)2-3-11(10)13-7/h2-3,6,13-14H,4-5,12H2,1H3
PubChem CID	1574
ChEMBL	CHEMBL266591
IUPHAR	218
BindingDB	50014406
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	512.86 nM	PMID7984267	PDSP,BindingDB
Ki	794.328 nM	PMID1565658	IUPHAR
Ki	851.13 nM	PMID7984267	PDSP,BindingDB
Ki	915.0 nM	PMID1565658	PDSP,BindingDB

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