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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	amoxapine
Molecular formula	C17H16ClN3O
IUPAC name	8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepine
Molecular weight	313.785
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.6
Synonyms	NCGC00015004-04 PDSP2_001593 CAS-14028-44-5 NCGC00015004-13 R63VQ857OT CL-67772 028A445 SPBio_001150 Defanyl 2-Chloro-11-(1-piperazinyl)dibenz(b,f)(1,4)oxazepine SR-01000003001 Dibenz[b,f][1,4]oxazepine, 2-chloro-11-(1-piperazinyl)- UNII-R63VQ857OT FT-0659871 AB00052421-13 HMS3260G14 Amoxapin KBio1_000236 Amoxapine, 1.0 mg/mL in methanol, certified reference material KS-1197 Ascendin MLS000069371 NCGC00255124-01 BPBio1_000094 BRN 0832057 NCGC00015004-07 Prestwick1_000102 SAM002564189 CTK8F7751 13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,9,12,14-heptaene Spectrum2_001245 Demolox (TN) 2-Chloro-11-(1-piperazinyl)dibenz[b,f]-1,4-oxazepine SR-01000003001-6 DSSTox_GSID_22598 8-chloro-6-piperazin-1-yl-benzo[b][1,4]benzoxazepine ZINC931 HMS2089G10 ABP000992 HMS500L18 KBio2_006062 Amoxapinum Lopac0_000116 NCGC00015004-16 Asendis Moxadil (TN) NSC-759559 NCGC00015004-02 Opera_ID_33 C-54133 NCGC00015004-10 Prestwick_503 CL 67772 (E)-2-chloro-11-(piperazin-1-yl)dibenzo[b,f][1,4]oxazepine SCHEMBL33950 2-Chloro-11-(1-piperazinyl)- dibenz[b,f][1,4]oxazepine Spectrum5_001284 DIBENZ(b,f)(1,4)OXAZEPINE, 2-CHLORO-11-(1-PIPERAZINYL)- 2-chloro-11-piperazin-1-yldibenzo[b,f][1,4]oxazepine Tox21_302352 EINECS 237-867-1 A-129 HMS2231E13 AKOS015895092 IDI1_000236 Amoxapine [USAN:BAN:INN:JAN] KBioSS_000926 amoxipine MCULE-9583761109 NCGC00023887-05 BDBM22870 NCGC00015004-05 Pharmakon1600-02300161 CCG-39135 REGID_for_CID_2170 CPD000058416 13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[9.4.0.0;{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaene SPBio_002023 Defanyl (TN) 2-Chloro-11-(1-piperazinyl)dibenzo[b,f][1,4]oxazepine SR-01000003001-2 DivK1c_000236 8-chloranyl-6-piperazin-1-yl-benzo[b][1,4]benzoxazepine VA10272 GTPL201 AB00052421_14 HMS3370P03 Amoxapina KBio2_000926 Amoxapine, Pharmaceutical Secondary Standard; Certified Reference Material L001293 Asendin MolPort-003-666-768 NCGC00260801-01 BRD-K02265150-001-05-9 BSPBio_000084 NCGC00015004-08 Prestwick2_000102 CHEMBL1113 SBI-0050104.P003 D00228 14028-44-5 Spectrum3_001067 Desmethylloxapin 2-Chloro-11-(1-piperazinyl)dibenz[b,f][1,4]oxazepine Tox21_110064 DSSTox_RID_76652 8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepine HMS2093N08 AC-5495 HY-B0991 Amoxapine (JP15/USP/INN) KBio3_001874 Amoxapinum [INN-Latin] LP00116 NCGC00023887-03 Asendis (TN) NC00546 NSC759559 NCGC00015004-03 PDSP1_001609 C17H16ClN3O NCGC00015004-11 QWGDMFLQWFTERH-UHFFFAOYSA-N CL-67,772 SMR000058416 DB00543 2-Chloro-11-(1-piperazinyl)-dibenz[b,f][1,4]oxazepine Spectrum_000446 Dibenzo[b,f][1,4]oxazepine, 2-chloro-11-(1-piperazinyl)- Tox21_500116 EU-0100116 A807639 HMS3259G08 Amoxan J-007373 Amoxapine [USAN:USP:INN:BAN:JAN] KS-000014ZS AN-10914 MFCD00069210 NCGC00023887-06 BG0035 BRD-K02265150-001-15-8 NCGC00015004-06 Prestwick0_000102 CHEBI:2675 s4218 CS-4485 13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaene SPECTRUM2300161 Demolox 2-Chloro-11-(1-piperazinyl)dibenzo[b,f][1,4]oxazepine # SR-01000003001-4 DSSTox_CID_2598 8-chloro-6-(1-piperazinyl)benzo[b][1,4]benzoxazepine Z1551429736 HMS1568E06 AB00052421_15 HMS3712E06 Amoxapina [INN-Spanish] KBio2_003494 Amoxapine, United States Pharmacopeia (USP) Reference Standard Lopac-A-129 Asendin (TN) Moxadil NINDS_000236 O286 BSPBio_002654 NCGC00015004-09 Prestwick3_000102 CL 67,772 SC-79931 D09IOI 2-Chlor-11-(1-piperazinyl)dibenz(b,f)(1,4)oxazepin Spectrum4_001218 Desmethylloxapine 2-chloro-11-(piperazin-1-yl)dibenzo[b,f][1,4]oxazepine Tox21_110064_1 DTXSID7022598 8-chloro-6-piperazin-1-ylbenzo[b][1,5]benzoxazepine HMS2095E06 AC1L1D2U I06-0520 Amoxapine (JP17/USP/INN) KBioGR_001656 Amoxepine LS-61563 NCGC00023887-04 BC657161 NCGC00015004-01 [ Show all ]
Inchi Key	QWGDMFLQWFTERH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
PubChem CID	2170
ChEMBL	CHEMBL1113
IUPHAR	201
BindingDB	22870
DrugBank	DB00543
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
IC50	3.787 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	1.984 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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