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GLASS

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GPCR

Name	5-hydroxytryptamine receptor 7
Species	Homo sapiens (Human)
Gene	HTR7
Synonym	5-HT-7 Serotonin receptor 7 5-HT-X 5-HT1Y 5-HT7 GPRFO 5-HT7 receptor 5-HTx 5-hydroxytryptamine (serotonin) receptor 7, adenylate cyclase-coupled [ Show all ]
Disease	Sleep disorders Schizophrenia Major depressive disorder
Length	479
Amino acid sequence	MMDVNSSGRPDLYGHLRSFLLPEVGRGLPDLSPDGGADPVAGSWAPHLLSEVTASPAPTWDAPPDNASGCGEQINYGRVEKVVIGSILTLITLLTIAGNCLVVISVCFVKKLRQPSNYLIVSLALADLSVAVAVMPFVSVTDLIGGKWIFGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTYPVRQNGKCMAKMILSVWLLSASITLPPLFGWAQNVNDDKVCLISQDFGYTIYSTAVAFYIPMSVMLFMYYQIYKAARKSAAKHKFPGFPRVEPDSVIALNGIVKLQKEVEECANLSRLLKHERKNISIFKREQKAATTLGIIVGAFTVCWLPFFLLSTARPFICGTSCSCIPLWVERTFLWLGYANSLINPFIYAFFNRDLRTTYRSLLQCQYRNINRKLSAAGMHEALKLAERPERPEFVLRACTRRVLLRPEKRPPVSVWVLQSPDHHNWLADKMLTTVEKKVMIHD
UniProt	P34969
Protein Data Bank	N/A
GPCR-HGmod model	P34969
3D structure model	This predicted structure model is from GPCR-EXP P34969.
BioLiP	N/A
Therapeutic Target Database	T79062
ChEMBL	CHEMBL3155
IUPHAR	12
DrugBank	BE0000650, BE0004862

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	NCGC00015254-06 CS-0644 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine(Clopazine) NCGC00015254-14 DivK1c_000343 AB0013069 NCGC00022902-05 Fazaclo ANW-42470 NCGC00022902-13 H482 BDBM50001884 Prestwick0_000350 HMS1989P12 BRD-K37289225-001-23-2 SBI-0050264.P004 HMS3371H05 KBio2_005735 CCG-39881 SPECTRUM1500685 Iprox Klozapol (TN) Clozapin 1333667-72-3 SR-01000000096-5 Lopac-C-6305 Clozapine Resolution Mixture, United States Pharmacopeia (USP) Reference Standard 5H-Dibenzo(b,e)(1,4)diazepine, 8-chloro-11-(4-methyl-1-piperazinyl)- UNII-J60AR2IKIC MolPort-001-728-041 Clozapine, European Pharmacopoeia (EP) Reference Standard 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine ZINC3872123 8-chloro-11-(4-methyl-piperazin-1-yl)-10H-dibenzo[b,e][1,4]diazepine NCGC00015254-09 D00283 8-Chloro-11-(4-methylpiperazino)-5H-dibenzo[b,e][1,4]diazepine NCGC00015254-17 DSSTox_RID_76759 AC1Q3OPZ NCGC00022902-08 Froidir (TN) Azaleptin NINDS_000343 HF1854 Bio1_000925 QZUDBNBUXVUHMW-UHFFFAOYSA-N HMS2096E21 KBio2_000310 C-36335 SCHEMBL33323 HMS3713E21 KBio3_002979 CHEBI:92657 Spectrum4_000898 L013417 3-chloro-6-(4-methylpiperazin-1-yl)-5H-benzo[b][1,4]benzodiazepine TC-063560 LX 100-129 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 W-2845 NCGC00015254-01 Clozapinum Clozaril (TN) 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine( Clozepine ) NCGC00015254-12 DB00363 AB00052158_15 NCGC00022902-02 EN300-52510 AKOS026749900 NCGC00022902-11 GP7633 BCP25196 Opera_ID_482 HMS1791P12 Bio2_000790 SAM002548976 HMS3260H14 KBio2_003167 CAS-5786-21-0 SPBio_000798 HY-14539 KBioSS_000310 Clopine (TN) SR-01000000096-2 Lepotex Clozapine 1.0 mg/ml in Acetonitrile Tox21_110113_1 MLS000028472 Clozapine, British Pharmacopoeia (BP) Reference Standard 8-Chloro-11-(4-methyl)-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine Zaponex (TN) NCGC00015254-04 NCGC00015254-07 CTK6I2968 8-chloro-11-(4-methylpiperazin-1-yl)-10H-dibenzo[b,e][1,4]diazepine NCGC00015254-15 DSSTox_CID_2855 AB1009321 NCGC00022902-06 Fazaclo (TN) AOB5635 NCGC00188978-01 HF 1854 BG0154 Prestwick1_000350 HMS2089L13 BRN 0764984 SC-12183 HMS3402P12 KBio3_000619 CCRIS 9171 Spectrum2_000919 J60AR2IKIC KS-1166 Clozapina 3-chloro-6-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine SR-01000000096-8 LP00276 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)- Versacloz MolPort-006-167-528 Clozapine, solid 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]-diazepine 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine NCGC00015254-10 D0Z1RV AB00052158-13 NCGC00015254-18 DTXSID5022855 AC1Q3ZWP NCGC00022902-09 FT-0082373 Azaleptine NSC-757429 HMS1361P12 Bio1_001414 REGID_for_CID_2818 HMS2235E19 KBio2_000599 C06924 SCHEMBL8397 HMS501B05 KBioGR_000310 Spectrum_000139 Leponex Clozapine (Clozaril) 3-Hydroxy-2-phenyl-propionic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester Tocris-0444 MCULE-3665900006 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 W-801 NCGC00015254-02 Clozapinum [INN-Latin] NCGC00015254-05 CPD000058365 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine(Ciozapine) NCGC00015254-13 Denzapine (TN) AB00052158_16 NCGC00022902-04 EU-0100276 AN-16004 NCGC00022902-12 GTPL38 BDBM22869 Pharmakon1600-01500685 HMS1921C16 BRD-K37289225-001-09-1 SAM002589962 HMS3266A10 KBio2_005446 CC0176 SPBio_002340 I06-0047 KBioSS_000599 Clorazil (E)-8-chloro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine SR-01000000096-4 LEX-123 Clozapine for peak identification, European Pharmacopoeia (EP) Reference Standard 5786-21-0 Tox21_500276 MLS001077282 Clozapine, drug standard, 1.0 mg/mL in methanol 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo (b,e)(1,4)diazepine ZINC19796155 NCGC00015254-08 D-107 8-chloro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine NCGC00015254-16 DSSTox_GSID_22855 AC1L1EJE NCGC00022902-07 Fazaclo ODT Asaleptin NCGC00260961-01 HF-1854 Bio1_000436 Prestwick_693 HMS2092I16 KBio1_000343 C 6305 SC-26976 HMS3657E15 KBio3_000620 CHEBI:3766 Spectrum3_001828 L000195 Clozapina [INN-Spanish] 3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine SW220247-1 LS-60881 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 W-105432 NC00667 Clozapine, United States Pharmacopeia (USP) Reference Standard 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine (Clozapine) NCGC00015254-11 AB00052158-14 NCGC00015254-20 EINECS 227-313-7 AKOS005064444 NCGC00022902-10 FT-0600382 BC204168 NSC757429 HMS1569E21 Bio2_000310 s2459 HMS3259J17 KBio2_002878 C18H19ClN4 SMR000058365 HSDB 6478 KBioGR_001336 CHEMBL42 SR-01000000096 Leponex (TN) Clozapine (JAN/USP/INN) Tox21_110113 MFCD00153785 CLOZAPINE, 8-CHLORO-11-(4-METHYL-PIPERAZIN-1-YL)-5H-DIBENZO[B,E][1,4]DIAZEPINE 786C210 Z1245633277 NCGC00015254-03 CLOZARIL [ 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
Ki	5.5 nM	PMID24365159	ChEMBL
Ki	5.888 nM	PMID24365159	ChEMBL
Ki	9.0 nM	PMID10715164	BindingDB,ChEMBL
Ki	12.59 nM	PMID14667218	ChEMBL
Ki	15.8489 - 63.0957 nM	PMID15821958, PMID11414657, PMID9720804	IUPHAR
Ki	18.0 nM	PMID23787101, PMID26900658, PMID25435254, PMID22926225	BindingDB,ChEMBL
Ki	19.95 nM	PMID17880057	ChEMBL
Ki	25.0 nM	PMID24691057	BindingDB,ChEMBL
Ki	37.0 nM	PMID25695425	BindingDB,ChEMBL
Ki	39.81 nM	PMID20346662	ChEMBL
Ki	40.0 nM	PMID12825922	BindingDB,ChEMBL
Ki	48.0 nM	PMID15771415	BindingDB,ChEMBL
Ki	100.0 nM	MedChemComm, (2012) 3:5:580	ChEMBL

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