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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	Zacopride
Molecular formula	C15H20ClN3O2
IUPAC name	4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-2-methoxybenzamide
Molecular weight	309.794
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	1.7
Synonyms	LS-178113 Zacoprida [Spanish] (zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-2-methoxy-benzamide 4-amino-n-(1-azabicyclo[2.2.2]oct-3-yl)-5-chloro-2-methoxybenzamide AC1L33HT PDSP2_001600 ZACOPRIDE,R 4-amino-5-iodo-2-methoxy-N-(1-azabicyclo(2.2.2)oct-3-yl)benzamide 4-Amino-N-1-azabicyclo(2.2.2)oct-3-yl-5-chloro-2-methoxybenzamide Benzamide, 4-amino-N-1-azabicyclo(2.2.2)oct-3-yl-5-chloro-2-methoxy- FEROPKNOYKURCJ-UHFFFAOYSA-N SCHEMBL16003 Zacopridum (.+/-.)-Zacopride 4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-2-methoxy-benzamide(zacopride) C15H20ClN3O2 iodozacopride PDSP1_001616 4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-2-methoxybenzamide AC1Q3LTX CHEMBL18041 PDSP2_001687 ZACOPRIDE,RS 4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-2-methoxy-benzamide 4-amino-n-1-azabicyclo[2.2.2]oct-3-yl-5-chloro-2-methoxybenzamide BRD-A65615053-003-01-4 GTPL245 L001315 Zacoprida Zacopridum [Latin] (RS)-Zacopride 4-amino-N-(1-azabicyclo(2,2,2)oct-3-yl)-5-chloro-2-methoxybenzamide-2-butenedioate 90182-92-6 CHEBI:91810 PDSP1_001704 Zacopride [INN] 4-amino-N-(1-azabicyclo[2.2.2]octan-8-yl)-5-chloro-2-methoxybenzamide BDBM50000492 DTXSID1048251 Racemic zacopride ZACOPRIDE,S 4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-2-methoxy-benzamide (Zacopride) 4-AMINO-N-1-AZABICYCLO[2.2.2]OCT-3-YL-5-CHLORO-2-METHOXYBENZAMIDE HYDROCHLORIDE BRD-A65615053-311-05-2 HTR5A4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-2-methoxy-benzamide [ Show all ]
Inchi Key	FEROPKNOYKURCJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)
PubChem CID	108182
ChEMBL	CHEMBL18041
IUPHAR	245
BindingDB	50000492
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	PMID1565658	BindingDB

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