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GLASS

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GPCR

Name	5-hydroxytryptamine receptor 1E
Species	Homo sapiens (Human)
Gene	HTR1E
Synonym	5-hydroxytryptamine (serotonin) receptor 1E, G protein-coupled 5-HT1E_alpha 5-ht1e receptor 5-HT1E 5-HT-1E S31 Serotonin receptor 1E [ Show all ]
Disease	N/A
Length	365
Amino acid sequence	MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT
UniProt	P28566
Protein Data Bank	N/A
GPCR-HGmod model	P28566
3D structure model	This predicted structure model is from GPCR-EXP P28566.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2182
IUPHAR	4
DrugBank	BE0000476

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	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 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 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 PDSP1_001058 CHEMBL831 S-805 CS-1105 Spectrum_000355 Dibenz[b,f][1,4]oxazepine, 2-chloro-11-(4-methyl-1-piperazinyl)- 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 C07104 Prestwick1_000132 CL-62362 SPBio_002143 SUM-3170 EINECS 217-835-3 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 NCGC00022279-05 CHEBI:50841 QTL1_000050 CL71,563 Spectrum3_001830 Dibenzacepin XJGVXQDUIWGIRW-UHFFFAOYSA-N 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 PDSP2_001042 CL 62,362 SCHEMBL94146 D02340 Staccato loxapine DivK1c_006919 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 C18H18ClN3O Prestwick2_000132 CL-71,563 SpecPlus_000823 DB00408 UNII-LER583670J GTPL205 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 Oxilapine S 805 Cloxazepine Spectrum5_001857 Dibenzoazepine ZINC19796158 KBio1_001863 Lopac0_000720 1977-10-2 Loxapinum [INN-Latin] AB00053735_15 LS-61562 AZ-004 NCGC00021145-07 BSPBio_003479 Prestwick0_000132 CL 62362 SPBio_001814 D0U5OE SUM 3170 DTXSID7023229 [ 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	1399.0 nM	http://pdsp.med.unc.edu/pdsp.php	PDSP

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