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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	CHEMBL8197
Molecular formula	C17H20N2O2
IUPAC name	(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1H-indole-3-carboxylate
Molecular weight	284.359
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.8
Synonyms	HMS2494I19 MolPort-001-903-627 REGID_for_CID_5595 ZNRGQMMCGHDTEI-UHFFFAOYSA-N 1H-Indole-3-carboxylic acid, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, endo- AB1004880 BAS 01059550 BRD-A83859836-003-02-8 J-525142 NCGC00015984-05 SMR000060690 (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1H-indole-3-carboxylate 4CA-1284 ACMC-20bn7f BCPP000032 Enamine_001310 MCULE-8015780530 Oprea1_462281 Tox21 110272 156-45-6 89565-68-4 AKOS022111472 BPBio1_000618 I14-10650 NCGC00015984-02 SCHEMBL463128 1H-Indole-3-carboxylic acid, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester AC1L1KP5 BBL033991 CCG-205327 L000605 NCGC00162379-01 STL257062 ACMC-20mr3z BDBM50007871 CTK0C2558 HMS1397L12 MLS000055682 Oprea1_655173 VA11915 1H-Indole-3-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester AB00420704_13 AN-15510 BRD-A83859836-001-01-4 ICS 205-930 NCGC00015984-03 SCHEMBL8946882 1H-Indole-3-carboxylic acid, endo-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester AC1Q625H BCP27620 CHEBI:91913 Lopac0_001253 NCGC00162379-02 TA1-RTA 124583-47-7 8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-indole-3-carboxylate AKOS000573788 Biomol-NT_000158 D0O5CR [ Show all ]
Inchi Key	ZNRGQMMCGHDTEI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3
PubChem CID	5595
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50007871
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	PMID1315531	PDSP,BindingDB

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