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GLASS

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GPCR

Name	5-hydroxytryptamine receptor 1B
Species	Homo sapiens (Human)
Gene	HTR1B
Synonym	5-HT1B receptor 5-HT-1B 5-HT-1D-beta 5-HT1B Serotonin 1D beta receptor HTR1D2 5-HT1B serotonin receptor 5-HT1DB 5-HT1Dbeta 5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled serotonin receptor 1B S12 [ Show all ]
Disease	Chronic schizophrenics Major depressive disorder Migraine headaches Mood disorder Psychotic disorders Anxiety disorder [ Show all ]
Length	390
Amino acid sequence	MEEPGAQCAPPPPAGSETWVPQANLSSAPSQNCSAKDYIYQDSISLPWKVLLVMLLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASILHLCVIALDRYWAITDAVEYSAKRTPKRAAVMIALVWVFSISISLPPFFWRQAKAEEEVSECVVNTDHILYTVYSTVGAFYFPTLLLIALYGRIYVEARSRILKQTPNRTGKRLTRAQLITDSPGSTSSVTSINSRVPDVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHLAIFDFFTWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTS
UniProt	P28222
Protein Data Bank	4iar, 6g79, 5v54
GPCR-HGmod model	P28222
3D structure model	This structure is from PDB ID 4iar.
BioLiP	BL0239857, BL0403524,BL0403525, BL0417722
Therapeutic Target Database	T07806
ChEMBL	CHEMBL1898
IUPHAR	2
DrugBank	BE0000797

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 BRD-K37289225-001-23-2 Leponex (TN) HMS3371H05 Tox21_110113 CCG-39881 MFCD00153785 Iprox Z1245633277 Clozapin NCGC00015254-03 1333667-72-3 Clozapine Resolution Mixture, United States Pharmacopeia (USP) Reference Standard NCGC00015254-11 5H-Dibenzo(b,e)(1,4)diazepine, 8-chloro-11-(4-methyl-1-piperazinyl)- Clozapine, European Pharmacopoeia (EP) Reference Standard NCGC00015254-20 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine CS-0644 NCGC00022902-10 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine(Clopazine) DivK1c_000343 NSC757429 AB0013069 Fazaclo s2459 ANW-42470 KBio2_002878 H482 SMR000058365 BDBM50001884 KBioGR_001336 HMS1989P12 Klozapol (TN) HMS2096E21 SR-01000000096-5 C-36335 Lopac-C-6305 HMS3713E21 UNII-J60AR2IKIC CHEBI:92657 MolPort-001-728-041 ZINC3872123 NCGC00015254-06 3-chloro-6-(4-methylpiperazin-1-yl)-5H-benzo[b][1,4]benzodiazepine Clozapine [USAN:USP:INN:BAN] NCGC00015254-14 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 NCGC00022902-05 8-chloro-11-(4-methyl-piperazin-1-yl)-10H-dibenzo[b,e][1,4]diazepine D00283 NCGC00022902-13 8-Chloro-11-(4-methylpiperazino)-5H-dibenzo[b,e][1,4]diazepine DSSTox_RID_76759 Prestwick0_000350 AC1Q3OPZ Froidir (TN) SBI-0050264.P004 Azaleptin KBio2_005735 HF1854 SPECTRUM1500685 Bio1_000925 Bio2_000790 L013417 HMS3260H14 TC-063560 CAS-5786-21-0 LX 100-129 HY-14539 W-2845 Clopine (TN) NCGC00015254-01 Clozapine 1.0 mg/ml in Acetonitrile NCGC00015254-09 Clozapine, British Pharmacopoeia (BP) Reference Standard NCGC00015254-17 8-Chloro-11-(4-methyl)-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine Clozaril (TN) NCGC00022902-08 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine( Clozepine ) DB00363 NINDS_000343 AB00052158_15 EN300-52510 QZUDBNBUXVUHMW-UHFFFAOYSA-N AKOS026749900 KBio2_000310 GP7633 SCHEMBL33323 BCP25196 KBio3_002979 HMS1791P12 Spectrum4_000898 HMS2089L13 SR-01000000096-2 BRN 0764984 Lepotex HMS3402P12 Tox21_110113_1 CCRIS 9171 MLS000028472 J60AR2IKIC Zaponex (TN) Clozapina NCGC00015254-04 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 NCGC00015254-12 5H-Dibenzo[b,e][1,4]diazepine, 8-chloro-11-(4-methyl-1-piperazinyl)- Clozapine, solid NCGC00022902-02 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]-diazepine CTK6I2968 NCGC00022902-11 8-chloro-11-(4-methylpiperazin-1-yl)-10H-dibenzo[b,e][1,4]diazepine DSSTox_CID_2855 Opera_ID_482 AB1009321 Fazaclo (TN) SAM002548976 AOB5635 KBio2_003167 HF 1854 SPBio_000798 BG0154 KBioSS_000310 KS-1166 HMS2235E19 SR-01000000096-8 C06924 LP00276 HMS501B05 Versacloz MolPort-006-167-528 Clozapine (Clozaril) NCGC00015254-07 3-Hydroxy-2-phenyl-propionic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester clozapine(tautomer) NCGC00015254-15 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] NCGC00022902-06 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine D0Z1RV NCGC00188978-01 AB00052158-13 DTXSID5022855 Prestwick1_000350 AC1Q3ZWP FT-0082373 SC-12183 Azaleptine KBio3_000619 HMS1361P12 Spectrum2_000919 Bio1_001414 Spectrum_000139 BRD-K37289225-001-09-1 Leponex HMS3266A10 Tocris-0444 CC0176 MCULE-3665900006 I06-0047 W-801 Clorazil NCGC00015254-02 (E)-8-chloro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine Clozapine for peak identification, European Pharmacopoeia (EP) Reference Standard NCGC00015254-10 5786-21-0 Clozapine, drug standard, 1.0 mg/mL in methanol NCGC00015254-18 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo (b,e)(1,4)diazepine CPD000058365 NCGC00022902-09 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine(Ciozapine) Denzapine (TN) NSC-757429 AB00052158_16 EU-0100276 REGID_for_CID_2818 AN-16004 KBio2_000599 GTPL38 SCHEMBL8397 BDBM22869 KBioGR_000310 HMS1921C16 HMS2092I16 SR-01000000096-4 C 6305 LEX-123 HMS3657E15 Tox21_500276 CHEBI:3766 MLS001077282 ZINC19796155 Clozapina [INN-Spanish] NCGC00015254-05 3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine Clozapine [USAN:INN:BAN] NCGC00015254-13 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 NCGC00022902-04 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine D-107 NCGC00022902-12 8-chloro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine DSSTox_GSID_22855 Pharmakon1600-01500685 AC1L1EJE Fazaclo ODT SAM002589962 Asaleptin KBio2_005446 HF-1854 SPBio_002340 Bio1_000436 KBioSS_000599 Bio2_000310 L000195 HMS3259J17 SW220247-1 C18H19ClN4 LS-60881 HSDB 6478 W-105432 CHEMBL42 NC00667 Clozapine (JAN/USP/INN) NCGC00015254-08 CLOZAPINE, 8-CHLORO-11-(4-METHYL-PIPERAZIN-1-YL)-5H-DIBENZO[B,E][1,4]DIAZEPINE NCGC00015254-16 786C210 CLOZARIL NCGC00022902-07 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine (Clozapine) NCGC00260961-01 AB00052158-14 EINECS 227-313-7 Prestwick_693 AKOS005064444 KBio1_000343 FT-0600382 SC-26976 BC204168 KBio3_000620 HMS1569E21 Spectrum3_001828 [ 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	630.957 nM	PMID8935801	IUPHAR
Ki	1000.0 nM	MedChemComm, (2012) 3:5:580	ChEMBL

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