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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	clozapine
Molecular formula	C18H19ClN4
IUPAC name	3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine
Molecular weight	326.828
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.1
Synonyms	Tox21_500276 D00283 MLS001077282 8-Chloro-11-(4-methylpiperazino)-5H-dibenzo[b,e][1,4]diazepine ZINC19796155 DSSTox_RID_76759 NCGC00015254-05 AC1Q3OPZ Froidir (TN) NCGC00015254-13 Azaleptin HF1854 NCGC00022902-04 Bio1_000925 HMS2096E21 NCGC00022902-12 C-36335 HMS3713E21 Pharmakon1600-01500685 CHEBI:92657 SAM002589962 KBio2_005446 3-chloro-6-(4-methylpiperazin-1-yl)-5H-benzo[b][1,4]benzodiazepine SPBio_002340 Clozapine [USAN:USP:INN:BAN] KBioSS_000599 6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaene SR-01000000096-4 Clozapinum LEX-123 8-chloro-11-(4-methyl-piperazin-1-yl)-10H-dibenzo[b,e][1,4]diazepine 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine( Clozepine ) W-105432 DB00363 NC00667 AB00052158_15 EN300-52510 NCGC00015254-08 AKOS026749900 GP7633 NCGC00015254-16 BCP25196 HMS1791P12 NCGC00022902-07 Bio2_000790 HMS3260H14 NCGC00260961-01 CAS-5786-21-0 HY-14539 Prestwick_693 Clopine (TN) KBio1_000343 SC-26976 Clozapine 1.0 mg/ml in Acetonitrile KBio3_000620 Spectrum3_001828 Clozapine, British Pharmacopoeia (BP) Reference Standard L000195 8-Chloro-11-(4-methyl)-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine SW220247-1 Clozaril (TN) LS-60881 CTK6I2968 MFCD00153785 8-chloro-11-(4-methylpiperazin-1-yl)-10H-dibenzo[b,e][1,4]diazepine Z1245633277 DSSTox_CID_2855 NCGC00015254-03 AB1009321 Fazaclo (TN) NCGC00015254-11 AOB5635 HF 1854 NCGC00015254-20 BG0154 HMS2089L13 NCGC00022902-10 BRN 0764984 HMS3402P12 NSC757429 CCRIS 9171 J60AR2IKIC s2459 Clozapina KBio2_002878 3-chloro-6-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine SMR000058365 Clozapine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material KBioGR_001336 5H-Dibenzo[b,e][1,4]diazepine, 8-chloro-11-(4-methyl-1-piperazinyl)- SR-01000000096 Clozapine, solid Leponex (TN) 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]-diazepine Tox21_110113 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine UNII-J60AR2IKIC D0Z1RV MolPort-001-728-041 AB00052158-13 ZINC3872123 DTXSID5022855 NCGC00015254-06 AC1Q3ZWP FT-0082373 NCGC00015254-14 Azaleptine HMS1361P12 NCGC00022902-05 Bio1_001414 HMS2235E19 NCGC00022902-13 C06924 HMS501B05 Prestwick0_000350 SBI-0050264.P004 Clozapine (Clozaril) KBio2_005735 3-Hydroxy-2-phenyl-propionic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester SPECTRUM1500685 clozapine(tautomer) Klozapol (TN) 6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1,3(8),4,6,10,12,14-heptaene SR-01000000096-5 Clozapinum [INN-Latin] Lopac-C-6305 LX 100-129 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine(Ciozapine) W-2845 Denzapine (TN) NCGC00015254-01 AB00052158_16 EU-0100276 NCGC00015254-09 AN-16004 GTPL38 NCGC00015254-17 BDBM22869 HMS1921C16 NCGC00022902-08 BRD-K37289225-001-09-1 HMS3266A10 NINDS_000343 CC0176 I06-0047 QZUDBNBUXVUHMW-UHFFFAOYSA-N Clorazil KBio2_000310 (E)-8-chloro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine SCHEMBL33323 Clozapine for peak identification, European Pharmacopoeia (EP) Reference Standard KBio3_002979 5786-21-0 Spectrum4_000898 Clozapine, drug standard, 1.0 mg/mL in methanol L013417 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo (b,e)(1,4)diazepine TC-063560 CPD000058365 D-107 MLS000028472 8-chloro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine Zaponex (TN) DSSTox_GSID_22855 NCGC00015254-04 AC1L1EJE Fazaclo ODT NCGC00015254-12 Asaleptin HF-1854 NCGC00022902-02 Bio1_000436 HMS2092I16 NCGC00022902-11 C 6305 HMS3657E15 Opera_ID_482 CHEBI:3766 SAM002548976 Clozapina [INN-Spanish] KBio2_003167 3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine SPBio_000798 Clozapine [USAN:INN:BAN] KBioSS_000310 6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatricyclo[9.4.0.0(3),]pentadeca-1,3,5,7,10,12,14-heptaene SR-01000000096-2 Clozapine, United States Pharmacopeia (USP) Reference Standard Lepotex 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine Tox21_110113_1 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine (Clozapine) Versacloz MolPort-006-167-528 AB00052158-14 EINECS 227-313-7 NCGC00015254-07 AKOS005064444 FT-0600382 NCGC00015254-15 BC204168 HMS1569E21 NCGC00022902-06 Bio2_000310 HMS3259J17 NCGC00188978-01 C18H19ClN4 HSDB 6478 Prestwick1_000350 CHEMBL42 SC-12183 Clozapine (JAN/USP/INN) KBio3_000619 Spectrum2_000919 CLOZAPINE, 8-CHLORO-11-(4-METHYL-PIPERAZIN-1-YL)-5H-DIBENZO[B,E][1,4]DIAZEPINE KS-1166 786C210 SR-01000000096-8 CLOZARIL LP00276 CS-0644 MCULE-3665900006 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine(Clopazine) W-801 DivK1c_000343 NCGC00015254-02 AB0013069 Fazaclo NCGC00015254-10 ANW-42470 H482 NCGC00015254-18 BDBM50001884 HMS1989P12 NCGC00022902-09 BRD-K37289225-001-23-2 HMS3371H05 NSC-757429 CCG-39881 Iprox REGID_for_CID_2818 Clozapin KBio2_000599 1333667-72-3 SCHEMBL8397 Clozapine Resolution Mixture, United States Pharmacopeia (USP) Reference Standard KBioGR_000310 5H-Dibenzo(b,e)(1,4)diazepine, 8-chloro-11-(4-methyl-1-piperazinyl)- Spectrum_000139 Clozapine, European Pharmacopoeia (EP) Reference Standard Leponex 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine Tocris-0444 [ Show all ]
Inchi Key	QZUDBNBUXVUHMW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
PubChem CID	135398737
ChEMBL	CHEMBL42
IUPHAR	38
BindingDB	50001884
DrugBank	DB00363
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
EC50	250.0 nM	None	ChEMBL
IC50	6.039 nM	DrugMatrix in vitro pharmacology data	ChEMBL
IC50	10.0 nM	PMID9622542	BindingDB,ChEMBL
Ki	1.99526 - 39.8107 nM	PMID9732398, PMID15322733, PMID12629531, PMID15102927, PMID10991983, PMID10217294	IUPHAR
Ki	2.884 nM	PMID15261283, Med Chem Res, (2013) 22:2:520	ChEMBL
Ki	3.163 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	4.8 nM	PMID25343529	BindingDB,ChEMBL
Ki	5.0 nM	PMID11170639	BindingDB,ChEMBL
Ki	5.012 nM	PMID11101359	ChEMBL
Ki	7.943 nM	PMID17880057	ChEMBL
Ki	9.3 nM	PMID23301527	BindingDB,ChEMBL
Ki	9.333 nM	PMID23301527	ChEMBL
Ki	10.0 nM	PMID14741248	BindingDB
Ki	10.47 nM	PMID17588750, PMID19796944, PMID14741248, PMID18783204	BindingDB,ChEMBL
Ki	13.0 nM	, PMID24559051, None, PMID14998318	BindingDB,ChEMBL
Ki	15.0 nM	PMID20719507	BindingDB,ChEMBL
Ki	15.85 nM	PMID10425088, PMID11754579	ChEMBL
Ki	17.0 nM	PMID18595716	BindingDB,ChEMBL
Ki	21.0 nM	PMID15771415	BindingDB,ChEMBL
Ki	23.0 nM	PMID23792350	ChEMBL
Ki	24.0 nM	PMID23353740	BindingDB,ChEMBL
Ki	72.44 nM	PMID23301527	ChEMBL
Ki	73.0 nM	PMID23301527	BindingDB,ChEMBL
Ki	100.0 nM	MedChemComm, (2012) 3:5:580	ChEMBL