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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	loxapine
Molecular formula	C18H18ClN3O
IUPAC name	8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine
Molecular weight	327.812
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.1
Synonyms	Loxapine (USAN/INN) 3785AH Loxitane AC1L1H3Z NCGC00021145-01 BPBio1_000226 NCGC00022279-03 C18H18ClN3O Prestwick2_000132 CL-71,563 SpecPlus_000823 DB00408 UNII-LER583670J GTPL205 KBio2_003403 Lossapina [DCIT] 2-Chloro-11-(4-methyl-1-piperazinyl)dibenz(b,f)(1,4)oxazepine 2-Chloro-11-(4-methylpiperazino)dibenzo(b,f)(1,4)oxazepine Loxapine [USAN:INN:BAN] 8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,5]benzoxazepine Loxitane IM Adasuve (TN) NCGC00021145-04 BRD-K39915878-036-15-2 Oxilapine S 805 Cloxazepine Spectrum5_001857 Dibenzoazepine ZINC19796158 HSDB 3111 KBioSS_000835 Loxapin Loxapinum [INN-Latin] AB00053735_15 LS-61562 AZ-004 NCGC00021145-07 BSPBio_003479 Prestwick0_000132 CL 62362 SPBio_001814 D0U5OE SUM 3170 DTXSID7023229 KBio1_001863 Lopac0_000720 1977-10-2 2-Chloro-11-(4-methyl-1-piperazinyl)dibenz[b,f][1,4]oxazepine Loxapine (water) 54810-23-0 (mono-hydrochloride) Loxitane (TN) AC1Q3ZWR NCGC00021145-02 BRD-K39915878-036-04-6 NCGC00022279-04 CCG-204805 Prestwick3_000132 CL-71563 Spectrum2_001737 Dibenz(b,f)(1,4)oxazepine, 2-chloro-11-(4-methyl-1-piperazinyl)- W-5098 HF 3170 KBio2_005971 Loxapac 2-Chloro-11-(4-methylpiperazino)dibenz[b,f][1,4]oxazepine Loxapinsuccinate 8-chloro-6-(4-methylpiperazino)benzo[b][1,4]benzoxazepine;succinic acid Loxitane Intramuscular AKOS030526111 NCGC00021145-05 BRN 0626753 PDSP1_001058 CHEMBL831 S-805 CS-1105 Spectrum_000355 Dibenz[b,f][1,4]oxazepine, 2-chloro-11-(4-methyl-1-piperazinyl)- HY-17390 L001085 13-chloro-10-(4-methylpiperazin-1-yl)-2-oxa-9-azatricyclo[9.4.0.0;{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaene Loxapina Loxapine (DMSO) 27833-64-3 (succinate) Loxepine AB00053735_16 LW 3170 BDBM22871 NCGC00021145-08 C07104 Prestwick1_000132 CL-62362 SPBio_002143 SUM-3170 EINECS 217-835-3 KBio2_000835 Lossapina 2-Chloro-11-(4-methyl-1-piperazinyl)-dibenz(b,f)(1,4)oxazepine 2-chloro-11-(4-methylpiperazin-1-yl)dibenzo[b,f][1,4]oxazepine Loxapine [USAN:BAN:INN] 8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine LOXITANE C Adasuve NCGC00021145-03 BRD-K39915878-036-05-3 NCGC00022279-05 CHEBI:50841 QTL1_000050 CL71,563 Spectrum3_001830 Dibenzacepin XJGVXQDUIWGIRW-UHFFFAOYSA-N HF3170 KBio3_002983 Loxapac (TN) Loxapina [INN-Spanish] Loxapinum 977L102 Loxitane-C Oral Suspension API0006785 NCGC00021145-06 BSPBio_000204 PDSP2_001042 CL 62,362 SCHEMBL94146 D02340 Staccato loxapine DivK1c_006919 Hydrofluoride 3170 LER583670J 13-chloro-10-(4-methylpiperazin-1-yl)-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,9,12,14-heptaene [ Show all ]
Inchi Key	XJGVXQDUIWGIRW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3
PubChem CID	3964
ChEMBL	CHEMBL831
IUPHAR	205
BindingDB	22871
DrugBank	DB00408
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
Ki	388.0 nM	http://pdsp.med.unc.edu/pdsp.php	PDSP

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