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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 5A
Species	Homo sapiens (Human)
Gene	HTR5A
Synonym	5-HT5alpha 5-HT-5 MR22 Htr5 5-HT-5A 5-HT5A 5HT5- 5-HT5A receptor 5-hydroxytryptamine (serotonin) receptor 5A, G protein-coupled serotonin receptor 5A [ Show all ]
Disease	N/A
Length	357
Amino acid sequence	MDLPVNLTSFSLSTPSPLETNHSLGKDDLRPSSPLLSVFGVLILTLLGFLVAATFAWNLLVLATILRVRTFHRVPHNLVASMAVSDVLVAALVMPLSLVHELSGRRWQLGRRLCQLWIACDVLCCTASIWNVTAIALDRYWSITRHMEYTLRTRKCVSNVMIALTWALSAVISLAPLLFGWGETYSEGSEECQVSREPSYAVFSTVGAFYLPLCVVLFVYWKIYKAAKFRVGSRKTNSVSPISEAVEVKDSAKQPQMVFTVRHATVTFQPEGDTWREQKEQRAALMVGILIGVFVLCWIPFFLTELISPLCSCDIPAIWKSIFLWLGYSNSFFNPLIYTAFNKNYNSAFKNFFSRQH
UniProt	P47898
Protein Data Bank	N/A
GPCR-HGmod model	P47898
3D structure model	This predicted structure model is from GPCR-EXP P47898.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3426
IUPHAR	10
DrugBank	BE0004688

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	DSSTox_RID_76759 AC1Q3OPZ NCGC00015254-09 Froidir (TN) Azaleptin NCGC00015254-17 HF1854 Bio1_000925 NCGC00022902-08 HMS2096E21 C-36335 NINDS_000343 HMS3713E21 CHEBI:92657 QZUDBNBUXVUHMW-UHFFFAOYSA-N KBio2_000310 SCHEMBL33323 3-chloro-6-(4-methylpiperazin-1-yl)-5H-benzo[b][1,4]benzodiazepine KBio3_002979 Clozapine [USAN:USP:INN:BAN] Spectrum4_000898 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 L013417 Clozapinum TC-063560 8-chloro-11-(4-methyl-piperazin-1-yl)-10H-dibenzo[b,e][1,4]diazepine LX 100-129 D00283 W-2845 8-Chloro-11-(4-methylpiperazino)-5H-dibenzo[b,e][1,4]diazepine NCGC00015254-01 NCGC00015254-04 EN300-52510 AKOS026749900 NCGC00015254-12 GP7633 BCP25196 NCGC00022902-02 HMS1791P12 Bio2_000790 NCGC00022902-11 HMS3260H14 CAS-5786-21-0 Opera_ID_482 HY-14539 Clopine (TN) SAM002548976 KBio2_003167 Clozapine 1.0 mg/ml in Acetonitrile SPBio_000798 KBioSS_000310 Clozapine, British Pharmacopoeia (BP) Reference Standard SR-01000000096-2 8-Chloro-11-(4-methyl)-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine Lepotex Clozaril (TN) Tox21_110113_1 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine( Clozepine ) MLS000028472 DB00363 Zaponex (TN) AB00052158_15 AB1009321 NCGC00015254-07 Fazaclo (TN) AOB5635 NCGC00015254-15 HF 1854 BG0154 NCGC00022902-06 HMS2089L13 BRN 0764984 NCGC00188978-01 HMS3402P12 CCRIS 9171 Prestwick1_000350 J60AR2IKIC Clozapina SC-12183 3-chloro-6-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine KBio3_000619 Clozapine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material Spectrum2_000919 5H-Dibenzo[b,e][1,4]diazepine, 8-chloro-11-(4-methyl-1-piperazinyl)- KS-1166 Clozapine, solid SR-01000000096-8 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]-diazepine LP00276 CTK6I2968 Versacloz 8-chloro-11-(4-methylpiperazin-1-yl)-10H-dibenzo[b,e][1,4]diazepine MolPort-006-167-528 DSSTox_CID_2855 DTXSID5022855 AC1Q3ZWP NCGC00015254-10 FT-0082373 Azaleptine NCGC00015254-18 HMS1361P12 Bio1_001414 NCGC00022902-09 HMS2235E19 C06924 NSC-757429 HMS501B05 REGID_for_CID_2818 KBio2_000599 Clozapine (Clozaril) SCHEMBL8397 3-Hydroxy-2-phenyl-propionic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester KBioGR_000310 clozapine(tautomer) Spectrum_000139 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 Leponex Clozapinum [INN-Latin] Tocris-0444 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine MCULE-3665900006 D0Z1RV W-801 AB00052158-13 NCGC00015254-02 NCGC00015254-05 EU-0100276 AN-16004 NCGC00015254-13 GTPL38 BDBM22869 NCGC00022902-04 HMS1921C16 BRD-K37289225-001-09-1 NCGC00022902-12 HMS3266A10 CC0176 Pharmakon1600-01500685 I06-0047 Clorazil SAM002589962 (E)-8-chloro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine KBio2_005446 Clozapine for peak identification, European Pharmacopoeia (EP) Reference Standard SPBio_002340 5786-21-0 KBioSS_000599 Clozapine, drug standard, 1.0 mg/mL in methanol SR-01000000096-4 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo (b,e)(1,4)diazepine LEX-123 CPD000058365 Tox21_500276 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine(Ciozapine) MLS001077282 Denzapine (TN) ZINC19796155 AB00052158_16 AC1L1EJE NCGC00015254-08 Fazaclo ODT Asaleptin NCGC00015254-16 HF-1854 Bio1_000436 NCGC00022902-07 HMS2092I16 C 6305 NCGC00260961-01 HMS3657E15 CHEBI:3766 Prestwick_693 KBio1_000343 Clozapina [INN-Spanish] SC-26976 3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine KBio3_000620 Clozapine [USAN:INN:BAN] Spectrum3_001828 6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatricyclo[9.4.0.0(3),]pentadeca-1,3,5,7,10,12,14-heptaene L000195 Clozapine, United States Pharmacopeia (USP) Reference Standard SW220247-1 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine LS-60881 D-107 W-105432 8-chloro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine NC00667 DSSTox_GSID_22855 EINECS 227-313-7 AKOS005064444 NCGC00015254-11 FT-0600382 BC204168 NCGC00015254-20 HMS1569E21 Bio2_000310 NCGC00022902-10 HMS3259J17 C18H19ClN4 NSC757429 HSDB 6478 CHEMBL42 s2459 KBio2_002878 Clozapine (JAN/USP/INN) SMR000058365 KBioGR_001336 CLOZAPINE, 8-CHLORO-11-(4-METHYL-PIPERAZIN-1-YL)-5H-DIBENZO[B,E][1,4]DIAZEPINE SR-01000000096 786C210 Leponex (TN) CLOZARIL Tox21_110113 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine (Clozapine) MFCD00153785 Z1245633277 AB00052158-14 NCGC00015254-03 AB0013069 NCGC00015254-06 Fazaclo ANW-42470 NCGC00015254-14 H482 BDBM50001884 NCGC00022902-05 HMS1989P12 BRD-K37289225-001-23-2 NCGC00022902-13 HMS3371H05 CCG-39881 Prestwick0_000350 Iprox Clozapin SBI-0050264.P004 1333667-72-3 KBio2_005735 Clozapine Resolution Mixture, United States Pharmacopeia (USP) Reference Standard SPECTRUM1500685 5H-Dibenzo(b,e)(1,4)diazepine, 8-chloro-11-(4-methyl-1-piperazinyl)- Klozapol (TN) Clozapine, European Pharmacopoeia (EP) Reference Standard SR-01000000096-5 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine Lopac-C-6305 CS-0644 UNII-J60AR2IKIC 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine(Clopazine) MolPort-001-728-041 DivK1c_000343 ZINC3872123 [ 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
Ki	<1000.0 nM	MedChemComm, (2012) 3:5:580	ChEMBL
Ki	316.228 - 1000.0 nM	PMID7988681, PMID11343685	IUPHAR
Ki	1000.0 nM	PMID12825922	BindingDB,ChEMBL

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