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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 2C
Species	Homo sapiens (Human)
Gene	HTR2C
Synonym	Serotonin receptor 2C serotonin 1c receptor 5-HT1C 5-HT2C 5-HT-2C 5-HT2C receptor 5-HTR2C 5-hydroxytryptamine (serotonin) receptor 2C, G protein-coupled 5-hydroxytryptamine receptor 1C HTR1C 5-HT-1C [ Show all ]
Disease	Pain Sleep initiation and maintenance disorders; Primary insomnia; Schizophrenia Unspecified Depression Drug abuse Generalized anxiety disorder; Major depressive disorder Major depressive disorder Metabolic disorders Psychotic disorders Mood disorder Neurological disease Obesity Obesity; Diabetes Migraine headaches Anxiety disorder Alcohol use disorders Aggressive non-hodgkin's lymphoma [ Show all ]
Length	458
Amino acid sequence	MVNLRNAVHSFLVHLIGLLVWQCDISVSPVAAIVTDIFNTSDGGRFKFPDGVQNWPALSIVIIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDEEKVFVNNTTCVLNDPNFVLIGSFVAFFIPLTIMVITYCLTIYVLRRQALMLLHGHTEEPPGLSLDFLKCCKRNTAEEENSANPNQDQNARRRKKKERRPRGTMQAINNERKASKVLGIVFFVFLIMWCPFFITNILSVLCEKSCNQKLMEKLLNVFVWIGYVCSGINPLVYTLFNKIYRRAFSNYLRCNYKVEKKPPVRQIPRVAATALSGRELNVNIYRHTNEPVIEKASDNEPGIEMQVENLELPVNPSSVVSERISSV
UniProt	P28335
Protein Data Bank	6bqg, 6bqh
GPCR-HGmod model	P28335
3D structure model	This structure is from PDB ID 6bqg.
BioLiP	BL0404805, BL0404806
Therapeutic Target Database	T83813
ChEMBL	CHEMBL225
IUPHAR	8
DrugBank	BE0004957, BE0004881, BE0000533

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	BSPBio_003479 Prestwick0_000132 CL 62362 SPBio_001814 D0U5OE SUM 3170 DTXSID7023229 KBio1_001863 Lopac0_000720 1977-10-2 Loxapinum [INN-Latin] AB00053735_15 LS-61562 AZ-004 NCGC00021145-07 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-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 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 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 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 Loxapine (DMSO) 27833-64-3 (succinate) Loxepine AB00053735_16 LW 3170 BDBM22871 NCGC00021145-08 NCGC00022279-05 CHEBI:50841 QTL1_000050 CL71,563 Spectrum3_001830 Dibenzacepin XJGVXQDUIWGIRW-UHFFFAOYSA-N HF3170 KBio3_002983 Loxapac (TN) 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 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 Loxapina [INN-Spanish] Loxapinum 977L102 Loxitane-C Oral Suspension API0006785 NCGC00021145-06 BSPBio_000204 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 Loxapine (USAN/INN) 3785AH Loxitane AC1L1H3Z NCGC00021145-01 BPBio1_000226 NCGC00022279-03 Oxilapine S 805 Cloxazepine Spectrum5_001857 Dibenzoazepine ZINC19796158 HSDB 3111 KBioSS_000835 Loxapin 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 [ 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	1.69 nM	PMID2904784	BindingDB
Ki	9.5 nM	PMID12629531	PDSP,BindingDB
Ki	10.0 - 15.8489 nM	PMID12629531, PMID10991983	IUPHAR
Ki	17.0 nM	PMID10991983	PDSP,BindingDB

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