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

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