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GLASS

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GPCR

Name	5-hydroxytryptamine receptor 1A
Species	Homo sapiens (Human)
Gene	HTR1A
Synonym	5-HT-1A 5-HT1A serotonin receptor 1A 5-HT1A receptor 5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled Gpcr18 ADRB2RL1 ADRBRL1 G-21 [ Show all ]
Disease	Urinary incontinence Generalized anxiety disorder Generalized anxiety disorder; Social phobia Hypertension Hypoactive sexual desire disorder Major depressive disorder Major depressive disorder; Episode; Anxiety Migraine Mood disorder Pain Parkinson's disease Premature ejaculation Psychiatric disorder Psychotic disorders Schizoaffective disorder; Schizophrenia Severe mood disorders Unspecified Female sexual dysfunction Eating disorder Schizophrenia Alzheimer disease Alzheimer disease; Peripheral sensory neuropathies; Lateral sclerosis Bulimia nervosa; Severe mood disorders Cervical dystonia; Spasm Cognitive disorders Anxiety disorder Depression Coronary artery disease [ Show all ]
Length	422
Amino acid sequence	MDVLSPGQGNNTTSPPAPFETGGNTTGISDVTVSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVKKVEKTGADTRHGASPAPQPKKSVNGESGSRNWRLGVESKAGGALCANGAVRQGDDGAALEVIEVHRVGNSKEHLPLPSEAGPTPCAPASFERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPTLLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRQ
UniProt	P08908
Protein Data Bank	N/A
GPCR-HGmod model	P08908
3D structure model	This predicted structure model is from GPCR-EXP P08908.
BioLiP	N/A
Therapeutic Target Database	T78709
ChEMBL	CHEMBL214
IUPHAR	1
DrugBank	BE0000291

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	SR-01000000096 AC1Q3OPZ Leponex (TN) Froidir (TN) Tox21_110113 Azaleptin MFCD00153785 HF1854 Z1245633277 Bio1_000925 NCGC00015254-03 HMS2096E21 C-36335 NCGC00015254-11 HMS3713E21 CHEBI:92657 NCGC00015254-20 NCGC00022902-10 3-chloro-6-(4-methylpiperazin-1-yl)-5H-benzo[b][1,4]benzodiazepine Clozapine [USAN:USP:INN:BAN] NSC757429 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 s2459 8-chloro-11-(4-methyl-piperazin-1-yl)-10H-dibenzo[b,e][1,4]diazepine KBio2_002878 D00283 SMR000058365 8-Chloro-11-(4-methylpiperazino)-5H-dibenzo[b,e][1,4]diazepine KBioGR_001336 DSSTox_RID_76759 Klozapol (TN) EN300-52510 SR-01000000096-5 AKOS026749900 Lopac-C-6305 GP7633 UNII-J60AR2IKIC BCP25196 MolPort-001-728-041 HMS1791P12 ZINC3872123 Bio2_000790 NCGC00015254-06 HMS3260H14 CAS-5786-21-0 NCGC00015254-14 HY-14539 Clopine (TN) NCGC00022902-05 Clozapine 1.0 mg/ml in Acetonitrile NCGC00022902-13 Clozapine, British Pharmacopoeia (BP) Reference Standard Prestwick0_000350 8-Chloro-11-(4-methyl)-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine Clozaril (TN) SBI-0050264.P004 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine( Clozepine ) KBio2_005735 DB00363 SPECTRUM1500685 AB00052158_15 AB1009321 L013417 Fazaclo (TN) TC-063560 AOB5635 LX 100-129 HF 1854 W-2845 BG0154 NCGC00015254-01 HMS2089L13 BRN 0764984 NCGC00015254-09 HMS3402P12 CCRIS 9171 NCGC00015254-17 J60AR2IKIC Clozapina NCGC00022902-08 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 NINDS_000343 5H-Dibenzo[b,e][1,4]diazepine, 8-chloro-11-(4-methyl-1-piperazinyl)- Clozapine, solid QZUDBNBUXVUHMW-UHFFFAOYSA-N 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]-diazepine KBio2_000310 CTK6I2968 SCHEMBL33323 8-chloro-11-(4-methylpiperazin-1-yl)-10H-dibenzo[b,e][1,4]diazepine KBio3_002979 DSSTox_CID_2855 Spectrum4_000898 SR-01000000096-2 AC1Q3ZWP Lepotex FT-0082373 Tox21_110113_1 Azaleptine MLS000028472 HMS1361P12 Zaponex (TN) Bio1_001414 NCGC00015254-04 HMS2235E19 C06924 NCGC00015254-12 HMS501B05 NCGC00022902-02 Clozapine (Clozaril) NCGC00022902-11 3-Hydroxy-2-phenyl-propionic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester clozapine(tautomer) Opera_ID_482 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] SAM002548976 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine KBio2_003167 D0Z1RV SPBio_000798 AB00052158-13 KBioSS_000310 DTXSID5022855 KS-1166 EU-0100276 SR-01000000096-8 AN-16004 LP00276 GTPL38 Versacloz BDBM22869 MolPort-006-167-528 HMS1921C16 BRD-K37289225-001-09-1 NCGC00015254-07 HMS3266A10 CC0176 NCGC00015254-15 I06-0047 Clorazil NCGC00022902-06 (E)-8-chloro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine Clozapine for peak identification, European Pharmacopoeia (EP) Reference Standard NCGC00188978-01 5786-21-0 Clozapine, drug standard, 1.0 mg/mL in methanol Prestwick1_000350 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo (b,e)(1,4)diazepine CPD000058365 SC-12183 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine(Ciozapine) KBio3_000619 Denzapine (TN) Spectrum2_000919 AB00052158_16 Spectrum_000139 AC1L1EJE Leponex Fazaclo ODT Tocris-0444 Asaleptin MCULE-3665900006 HF-1854 W-801 Bio1_000436 NCGC00015254-02 HMS2092I16 C 6305 NCGC00015254-10 HMS3657E15 CHEBI:3766 NCGC00015254-18 Clozapina [INN-Spanish] NCGC00022902-09 3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine Clozapine [USAN:INN:BAN] NSC-757429 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 REGID_for_CID_2818 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine KBio2_000599 D-107 SCHEMBL8397 8-chloro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine KBioGR_000310 DSSTox_GSID_22855 EINECS 227-313-7 SR-01000000096-4 AKOS005064444 LEX-123 FT-0600382 Tox21_500276 BC204168 MLS001077282 HMS1569E21 ZINC19796155 Bio2_000310 NCGC00015254-05 HMS3259J17 C18H19ClN4 NCGC00015254-13 HSDB 6478 CHEMBL42 NCGC00022902-04 Clozapine (JAN/USP/INN) NCGC00022902-12 CLOZAPINE, 8-CHLORO-11-(4-METHYL-PIPERAZIN-1-YL)-5H-DIBENZO[B,E][1,4]DIAZEPINE Pharmakon1600-01500685 786C210 CLOZARIL SAM002589962 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine (Clozapine) KBio2_005446 SPBio_002340 AB00052158-14 KBioSS_000599 L000195 Fazaclo SW220247-1 ANW-42470 LS-60881 H482 W-105432 BDBM50001884 NC00667 HMS1989P12 BRD-K37289225-001-23-2 NCGC00015254-08 HMS3371H05 CCG-39881 NCGC00015254-16 Iprox Clozapin NCGC00022902-07 1333667-72-3 Clozapine Resolution Mixture, United States Pharmacopeia (USP) Reference Standard NCGC00260961-01 5H-Dibenzo(b,e)(1,4)diazepine, 8-chloro-11-(4-methyl-1-piperazinyl)- Clozapine, European Pharmacopoeia (EP) Reference Standard Prestwick_693 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine KBio1_000343 CS-0644 SC-26976 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine(Clopazine) KBio3_000620 DivK1c_000343 Spectrum3_001828 AB0013069 [ 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
IC50	150.0 nM	PMID9622542	BindingDB,ChEMBL
Ki	6.38 nM	Med Chem Res, (2013) 22:2:520	ChEMBL
Ki	100.0 nM	PMID17880057	ChEMBL
Ki	101.0 nM	PMID22268448	BindingDB,ChEMBL
Ki	125.893 - 158.489 nM	PMID9760039, PMID8935801, PMID9732398	IUPHAR
Ki	140.0 nM	PMID18595716, PMID24559051	BindingDB,ChEMBL
Ki	143.0 nM	PMID23787101, PMID22926225	BindingDB,ChEMBL
Ki	160.0 nM	PMID25343529	BindingDB,ChEMBL
Ki	270.0 nM	PMID11527728	BindingDB,ChEMBL
Ki	416.87 nM	PMID15261283	ChEMBL
Ki	710.0 nM	PMID11170639	BindingDB,ChEMBL
Ki	1000.0 nM	MedChemComm, (2012) 3:5:580	ChEMBL

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