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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.
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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	Harmalan
Molecular formula	C12H12N2
IUPAC name	1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole
Molecular weight	184.242
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	2.1
Synonyms	4,9-Dihydro-1-methyl-3H-pyrido[3,4-b]indole, 9CI BAS 00654954 harman e Oprea1_558389 ZINC13130932 1-methyl-3H,4H,9H-pyrido[3,4-b]indole 2H-Pyrido[3,4-b]indole, 3,4-dihydro-1-methyl- A827586 MCULE-2765797747 SCHEMBL4986696 3H-Pyrido[3,4-b]indole, 4,9-dihydro-1-methyl- ACMC-1AST1 Dihydroharman NCGC00245167-01 TC-166607 1-Methyl-3,4-dihydro-beta-carboline BDBM50136493 HMS2270L19 REGID_for_CID_5316718 1-Methyl-4,9-dihydro-3H-beta-carboline 3,4-Dihydro-1-methyl-2H-Pyrido[3,4-b]indole AC1NSUKB CHEMBL295234 MLS001048999 SMR000387013 1-Methyl-3,4-dihydro-2H-.beta.-carboline 4,9-Dihydro-1-methyl-3H-Pyrido(3,4-b)indole AKOS006282713 NCGC00245167-02 TRA0052609 1-methyl-3,4-dihydrobeta-carboline 525-41-7 BJRYQXFFBCGJRM-UHFFFAOYSA-N HMS3561H09 SCHEMBL141724 1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole 3H-Pyrido(3,4-b)indole, 4,9-dihydro-1-methyl- AC1Q2PFX CTK8C5609 MolPort-001-825-653 ST50984240 1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole [ Show all ]
Inchi Key	CWOYLIJQLSNRRN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H12N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,14H,6-7H2,1H3
PubChem CID	160510
ChEMBL	CHEMBL295234
IUPHAR	N/A
BindingDB	50136493
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	<10000.0 nM	PMID14643338	BindingDB,ChEMBL

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