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GPCR

Name	5-hydroxytryptamine receptor 1A
Species	Rattus norvegicus (Rat)
Gene	Htr1a
Synonym	5-HT1A receptor 5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled 5-HT1A ADRB2RL1 ADRBRL1 5-HT-1A Gpcr18 Serotonin receptor 1A [ Show all ]
Disease	N/A for non-human GPCRs
Length	422
Amino acid sequence	MDVFSFGQGNNTTASQEPFGTGGNVTSISDVTFSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVRKVEKKGAGTSLGTSSAPPPKKSLNGQPGSGDWRRCAENRAVGTPCTNGAVRQGDDEATLEVIEVHRVGNSKEHLPLPSESGSNSYAPACLERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPALLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRR
UniProt	P19327
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL273
IUPHAR	1
DrugBank	N/A

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	AN-16004 GTPL38 NCGC00022902-09 BDBM22869 HMS1921C16 NSC-757429 BRD-K37289225-001-09-1 HMS3266A10 REGID_for_CID_2818 CC0176 KBio2_000599 I06-0047 SCHEMBL8397 Clorazil KBioGR_000310 (E)-8-chloro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine Spectrum_000139 Clozapine for peak identification, European Pharmacopoeia (EP) Reference Standard Leponex 5786-21-0 Tocris-0444 Clozapine, drug standard, 1.0 mg/mL in methanol MCULE-3665900006 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo (b,e)(1,4)diazepine W-801 CPD000058365 NCGC00015254-02 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine(Ciozapine) Denzapine (TN) NCGC00015254-10 AB00052158_16 EU-0100276 NCGC00015254-18 Fazaclo ODT NCGC00022902-04 Asaleptin HF-1854 NCGC00022902-12 Bio1_000436 HMS2092I16 Pharmakon1600-01500685 C 6305 HMS3657E15 SAM002589962 CHEBI:3766 KBio2_005446 SPBio_002340 Clozapina [INN-Spanish] KBioSS_000599 3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine SR-01000000096-4 Clozapine [USAN:INN:BAN] LEX-123 6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatricyclo[9.4.0.0(3),]pentadeca-1,3,5,7,10,12,14-heptaene Tox21_500276 Clozapine, United States Pharmacopeia (USP) Reference Standard MLS001077282 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine ZINC19796155 D-107 NCGC00015254-05 8-chloro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine DSSTox_GSID_22855 NCGC00015254-13 AC1L1EJE FT-0600382 NCGC00022902-07 BC204168 HMS1569E21 NCGC00260961-01 Bio2_000310 HMS3259J17 Prestwick_693 C18H19ClN4 KBio1_000343 HSDB 6478 SC-26976 CHEMBL42 KBio3_000620 Spectrum3_001828 Clozapine (JAN/USP/INN) L000195 SW220247-1 CLOZAPINE, 8-CHLORO-11-(4-METHYL-PIPERAZIN-1-YL)-5H-DIBENZO[B,E][1,4]DIAZEPINE LS-60881 786C210 W-105432 CLOZARIL NC00667 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine (Clozapine) NCGC00015254-08 AB00052158-14 EINECS 227-313-7 NCGC00015254-16 AKOS005064444 ANW-42470 H482 NCGC00022902-10 BDBM50001884 HMS1989P12 NSC757429 BRD-K37289225-001-23-2 HMS3371H05 s2459 CCG-39881 KBio2_002878 Iprox SMR000058365 Clozapin KBioGR_001336 1333667-72-3 SR-01000000096 Clozapine Resolution Mixture, United States Pharmacopeia (USP) Reference Standard Leponex (TN) 5H-Dibenzo(b,e)(1,4)diazepine, 8-chloro-11-(4-methyl-1-piperazinyl)- Tox21_110113 Clozapine, European Pharmacopoeia (EP) Reference Standard MFCD00153785 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine Z1245633277 CS-0644 NCGC00015254-03 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine(Clopazine) DivK1c_000343 NCGC00015254-11 AB0013069 Fazaclo NCGC00015254-20 Froidir (TN) NCGC00022902-05 Azaleptin HF1854 NCGC00022902-13 Bio1_000925 HMS2096E21 Prestwick0_000350 C-36335 HMS3713E21 SBI-0050264.P004 CHEBI:92657 KBio2_005735 SPECTRUM1500685 Klozapol (TN) 3-chloro-6-(4-methylpiperazin-1-yl)-5H-benzo[b][1,4]benzodiazepine SR-01000000096-5 Clozapine [USAN:USP:INN:BAN] Lopac-C-6305 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 UNII-J60AR2IKIC Clozapinum MolPort-001-728-041 8-chloro-11-(4-methyl-piperazin-1-yl)-10H-dibenzo[b,e][1,4]diazepine ZINC3872123 D00283 NCGC00015254-06 8-Chloro-11-(4-methylpiperazino)-5H-dibenzo[b,e][1,4]diazepine DSSTox_RID_76759 NCGC00015254-14 AC1Q3OPZ AKOS026749900 GP7633 NCGC00022902-08 BCP25196 HMS1791P12 NINDS_000343 Bio2_000790 HMS3260H14 QZUDBNBUXVUHMW-UHFFFAOYSA-N CAS-5786-21-0 KBio2_000310 HY-14539 SCHEMBL33323 Clopine (TN) KBio3_002979 Spectrum4_000898 Clozapine 1.0 mg/ml in Acetonitrile L013417 TC-063560 Clozapine, British Pharmacopoeia (BP) Reference Standard LX 100-129 8-Chloro-11-(4-methyl)-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine W-2845 Clozaril (TN) NCGC00015254-01 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine( Clozepine ) DB00363 NCGC00015254-09 AB00052158_15 EN300-52510 NCGC00015254-17 NCGC00022902-02 AOB5635 HF 1854 NCGC00022902-11 BG0154 HMS2089L13 Opera_ID_482 BRN 0764984 HMS3402P12 SAM002548976 CCRIS 9171 KBio2_003167 J60AR2IKIC SPBio_000798 Clozapina KBioSS_000310 3-chloro-6-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine SR-01000000096-2 Clozapine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material Lepotex 5H-Dibenzo[b,e][1,4]diazepine, 8-chloro-11-(4-methyl-1-piperazinyl)- Tox21_110113_1 Clozapine, solid MLS000028472 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]-diazepine Zaponex (TN) CTK6I2968 NCGC00015254-04 8-chloro-11-(4-methylpiperazin-1-yl)-10H-dibenzo[b,e][1,4]diazepine DSSTox_CID_2855 NCGC00015254-12 AB1009321 Fazaclo (TN) FT-0082373 NCGC00022902-06 Azaleptine HMS1361P12 NCGC00188978-01 Bio1_001414 HMS2235E19 Prestwick1_000350 C06924 HMS501B05 SC-12183 KBio3_000619 Spectrum2_000919 Clozapine (Clozaril) KS-1166 3-Hydroxy-2-phenyl-propionic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester SR-01000000096-8 clozapine(tautomer) LP00276 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 Versacloz Clozapinum [INN-Latin] MolPort-006-167-528 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine D0Z1RV NCGC00015254-07 AB00052158-13 DTXSID5022855 NCGC00015254-15 AC1Q3ZWP [ 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
IC50	267.6 nM	PMID12361392	BindingDB,ChEMBL
IC50	491.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
IC50	580.0 nM	PMID1672156	BindingDB,ChEMBL
IC50	600.0 nM	PMID1676427	BindingDB,ChEMBL
IC50	1010.0 nM	PMID8831770	BindingDB,ChEMBL
IC50	1015.5 nM	PMID7914536	BindingDB,ChEMBL
IC50	2000.0 nM	PMID7914539, PMID8568802, PMID8676355	BindingDB,ChEMBL
Ki	38.5 nM	PMID7473548	ChEMBL
Ki	39.0 nM	PMID1346653, PMID7473548, PMID7473547	BindingDB,ChEMBL
Ki	95.5 nM	PMID17870534	ChEMBL
Ki	111.0 nM	PMID9622541, PMID7909336	BindingDB,ChEMBL
Ki	130.0 nM	PMID8709107	BindingDB,ChEMBL
Ki	140.0 nM	PMID21816515	BindingDB,ChEMBL
Ki	141.6 nM	PMID23675993	ChEMBL
Ki	150.0 nM	PMID8691438	BindingDB,ChEMBL
Ki	160.0 nM	PMID19072656, PMID20481570	BindingDB,ChEMBL
Ki	161.0 nM	PMID26483200	BindingDB,ChEMBL
Ki	185.6 nM	PMID24487191, MedChemComm, (2015) 6:5:831	ChEMBL
Ki	247.0 nM	PMID9876110	ChEMBL
Ki	247.0 nM	PMID9876110	BindingDB
Ki	260.0 nM	PMID23353740, PMID23792350	BindingDB,ChEMBL
Ki	281.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	380.0 nM	PMID20153652	BindingDB,ChEMBL
Ki	415.0 nM	PMID10464021	BindingDB
Ki	415.0 nM	PMID10464021	ChEMBL
Ki	443.0 nM	PMID10649982	BindingDB
Ki	443.0 nM	PMID10649982	ChEMBL
Ki	640.0 nM	PMID1353116	BindingDB,ChEMBL