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GLASS

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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	HARMINE
Molecular formula	C13H12N2O
IUPAC name	7-methoxy-1-methyl-9H-pyrido[3,4-b]indole
Molecular weight	212.252
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.6
Synonyms	4CN-1047 KBio1_001651 7-Methoxy-1-methyl-9H-pyrido[3,4-b]indole, 9CI Leucoharmine AB00052850-08 NCGC00016435-01 AN-5374 NCGC00094869-01 BAS 00654992 Prestwick0_000613 BRD-K30984264-001-04-7 SDCCGMLS-0066733.P001 C13H12N2O Spectrum4_001004 CTK3J1336 ST069315 Garmin 1-Methyl-7-methoxy-.beta.-carboline HMS2090H04 TL8003082 7-Methoxy-1-methyl-9H-beta-carboline KBio2_006744 9H-Pyrido(3,4-b)indole, 7-methoxy-1-methyl- MEGxp0_001875 ACMC-209jws NCGC00016435-04 AS-13970 NCGC00094869-04 BIDD:GT0106 Prestwick3_000613 BRD-K30984264-003-06-8 SPBio_002765 CHEBI:28121 SR-05000001527 DB07919 Harmin HRM VA10371 InChI=1/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H 7-Methoxy-1-methyl-9H-pyrido(3,4-b)indole KBioSS_001608 A826517 MolPort-000-745-604 AK111268 NCGC00016435-07 Banisterine Oprea1_596686 BPBio1_000602 SC-78608 BXNJHAXVSOCGBA-UHFFFAOYSA-N Spectrum2_000568 cid_5359389 SR-05000001527-5 EINECS 207-131-4 Harmine, 98% 442-51-3 (FREE BASE) Telepathin Yajeine 4FHH5G48T7 KBio2_001608 7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;hydrochloride LS-133548 AC1NQXSY NCGC00016435-02 ANW-30074 NCGC00094869-02 BDBM100152 Prestwick1_000613 BRD-K30984264-001-05-4 SMR001233259 CAS-343-27-1 Spectrum5_001914 D00OWF ST24045676 GTPL9352 1-Methyl-7-methoxy-beta -carboline HMS3561B11 TR-017050 HY-N0737A 7-Methoxy-1-methyl-9H-beta-carboline # KBio3_001852 9H-Pyrido[3,4-b]indole, 7-methoxy-1-methyl- MFCD00004958 ACon0_001194 NCGC00016435-05 AX8014622 NCGC00094869-05 BIDF1036 Q568 BRN 0178813 SpecPlus_000611 SR-05000001527-1 DivK1c_006707 Harmin hydrochloride 3anr Yagein KB-249995 7-Methoxy-1-methyl-9H-pyrido[3,4-b]indole KS-00000GV3 AB00052850 N-(sec-butyl)-6-(4-{[(5-chloro-2-thienyl)sulfonyl]amino}phenoxy)nicotinamide AKOS003673313 NCGC00016435-09 Banisterine monohydrate OR52246 BRD-K30984264-001-01-3 SCHEMBL292955 C06538 Spectrum3_000906 CS-5325 SR-05000001527-8 FT-0626860 HMS1921M06 442H513 Telepathine ZINC18847046 5-23-12-00237 (Beilstein Handbook Reference) KBio2_004176 7-methoxy-1-methylbeta-carboline MCULE-9544425288 AC1Q4EU6 NCGC00016435-03 API0002888 NCGC00094869-03 BIDD:ER0478 Prestwick2_000613 BRD-K30984264-003-03-5 SPBio_000356 CCG-38734 Spectrum_001128 D0V4XE STK047386 H-1200 1-Methyl-7-methoxy-beta-carboline HMS3650H03 UNII-4FHH5G48T7 I14-18972 7-methoxy-1-methyl-9H-beta-carboline;hydrochloride KBioGR_001467 A1-03319 MLS002153910 ACon1_000061 NCGC00016435-06 Banisterin NCGC00094869-06 BP-30211 RTR-017050 BSPBio_000546 SPECTRUM1500867 CHEMBL269538 SR-05000001527-4 DTXSID30196066 442-51-3 Telepathien Yageine [ Show all ]
Inchi Key	BXNJHAXVSOCGBA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
PubChem CID	5280953
ChEMBL	CHEMBL269538
IUPHAR	N/A
BindingDB	100152
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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