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GLASS

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GPCR

Name	5-hydroxytryptamine receptor 1B
Species	Rattus norvegicus (Rat)
Gene	Htr1b
Synonym	HTR1D2 5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled 5-HT1Dbeta 5-HT1DB 5-HT1B serotonin receptor 5-HT1B receptor 5-HT1B 5-HT-1B Serotonin receptor 1B [ Show all ]
Disease	N/A for non-human GPCRs
Length	386
Amino acid sequence	MEEQGIQCAPPPPATSQTGVPLANLSHNCSADDYIYQDSIALPWKVLLVALLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASIMHLCVIALDRYWAITDAVDYSAKRTPKRAAIMIVLVWVFSISISLPPFFWRQAKAEEEVLDCFVNTDHVLYTVYSTVGAFYLPTLLLIALYGRIYVEARSRILKQTPNKTGKRLTRAQLITDSPGSTSSVTSINSRVPEVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHMAIFDFFNWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTG
UniProt	P28564
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	CHEMBL3459
IUPHAR	2
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	H482 SR-01000000096-4 BDBM50001884 LEX-123 HMS1989P12 Tox21_500276 BRD-K37289225-001-23-2 MLS001077282 HMS3371H05 ZINC19796155 CCG-39881 NCGC00015254-05 Iprox Clozapin NCGC00015254-13 1333667-72-3 Clozapine Resolution Mixture, United States Pharmacopeia (USP) Reference Standard NCGC00022902-04 5H-Dibenzo(b,e)(1,4)diazepine, 8-chloro-11-(4-methyl-1-piperazinyl)- Clozapine, European Pharmacopoeia (EP) Reference Standard NCGC00022902-12 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine CS-0644 Pharmakon1600-01500685 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine(Clopazine) DivK1c_000343 SAM002589962 AB0013069 KBio2_005446 Fazaclo SPBio_002340 ANW-42470 KBioSS_000599 Azaleptin L000195 HF1854 SW220247-1 Bio1_000925 LS-60881 HMS2096E21 W-105432 C-36335 NC00667 HMS3713E21 CHEBI:92657 NCGC00015254-08 NCGC00015254-16 3-chloro-6-(4-methylpiperazin-1-yl)-5H-benzo[b][1,4]benzodiazepine Clozapine [USAN:USP:INN:BAN] NCGC00022902-07 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 NCGC00260961-01 8-chloro-11-(4-methyl-piperazin-1-yl)-10H-dibenzo[b,e][1,4]diazepine D00283 Prestwick_693 8-Chloro-11-(4-methylpiperazino)-5H-dibenzo[b,e][1,4]diazepine KBio1_000343 DSSTox_RID_76759 SC-26976 AC1Q3OPZ KBio3_000620 Froidir (TN) Spectrum3_001828 SR-01000000096 BCP25196 Leponex (TN) HMS1791P12 Tox21_110113 Bio2_000790 MFCD00153785 HMS3260H14 Z1245633277 CAS-5786-21-0 NCGC00015254-03 HY-14539 Clopine (TN) NCGC00015254-11 Clozapine 1.0 mg/ml in Acetonitrile NCGC00015254-20 Clozapine, British Pharmacopoeia (BP) Reference Standard NCGC00022902-10 8-Chloro-11-(4-methyl)-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine Clozaril (TN) NSC757429 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine( Clozepine ) DB00363 s2459 AB00052158_15 KBio2_002878 EN300-52510 SMR000058365 AKOS026749900 KBioGR_001336 GP7633 HF 1854 SR-01000000096-5 BG0154 Lopac-C-6305 HMS2089L13 UNII-J60AR2IKIC BRN 0764984 MolPort-001-728-041 HMS3402P12 ZINC3872123 CCRIS 9171 NCGC00015254-06 J60AR2IKIC Clozapina NCGC00015254-14 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 NCGC00022902-05 5H-Dibenzo[b,e][1,4]diazepine, 8-chloro-11-(4-methyl-1-piperazinyl)- Clozapine, solid NCGC00022902-13 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]-diazepine CTK6I2968 Prestwick0_000350 8-chloro-11-(4-methylpiperazin-1-yl)-10H-dibenzo[b,e][1,4]diazepine DSSTox_CID_2855 SBI-0050264.P004 AB1009321 KBio2_005735 Fazaclo (TN) SPECTRUM1500685 AOB5635 Klozapol (TN) Azaleptine L013417 HMS1361P12 TC-063560 Bio1_001414 LX 100-129 HMS2235E19 W-2845 C06924 NCGC00015254-01 HMS501B05 NCGC00015254-09 Clozapine (Clozaril) NCGC00015254-17 3-Hydroxy-2-phenyl-propionic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester clozapine(tautomer) NCGC00022902-08 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] NINDS_000343 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine D0Z1RV QZUDBNBUXVUHMW-UHFFFAOYSA-N AB00052158-13 KBio2_000310 DTXSID5022855 SCHEMBL33323 AC1Q3ZWP KBio3_002979 FT-0082373 Spectrum4_000898 GTPL38 SR-01000000096-2 BDBM22869 Lepotex HMS1921C16 Tox21_110113_1 BRD-K37289225-001-09-1 MLS000028472 HMS3266A10 Zaponex (TN) CC0176 NCGC00015254-04 I06-0047 Clorazil NCGC00015254-12 (E)-8-chloro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine Clozapine for peak identification, European Pharmacopoeia (EP) Reference Standard NCGC00022902-02 5786-21-0 Clozapine, drug standard, 1.0 mg/mL in methanol NCGC00022902-11 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo (b,e)(1,4)diazepine CPD000058365 Opera_ID_482 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine(Ciozapine) Denzapine (TN) SAM002548976 AB00052158_16 KBio2_003167 EU-0100276 SPBio_000798 AN-16004 KBioSS_000310 HF-1854 SR-01000000096-8 Bio1_000436 LP00276 HMS2092I16 Versacloz C 6305 MolPort-006-167-528 HMS3657E15 CHEBI:3766 NCGC00015254-07 Clozapina [INN-Spanish] NCGC00015254-15 3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine Clozapine [USAN:INN:BAN] NCGC00022902-06 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 NCGC00188978-01 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine D-107 Prestwick1_000350 8-chloro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine DSSTox_GSID_22855 SC-12183 AC1L1EJE KBio3_000619 Fazaclo ODT Spectrum2_000919 Asaleptin KS-1166 BC204168 Leponex HMS1569E21 Tocris-0444 Bio2_000310 MCULE-3665900006 HMS3259J17 W-801 C18H19ClN4 NCGC00015254-02 HSDB 6478 CHEMBL42 NCGC00015254-10 Clozapine (JAN/USP/INN) NCGC00015254-18 CLOZAPINE, 8-CHLORO-11-(4-METHYL-PIPERAZIN-1-YL)-5H-DIBENZO[B,E][1,4]DIAZEPINE NCGC00022902-09 786C210 CLOZARIL NSC-757429 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine (Clozapine) REGID_for_CID_2818 AB00052158-14 KBio2_000599 EINECS 227-313-7 SCHEMBL8397 AKOS005064444 KBioGR_000310 FT-0600382 Spectrum_000139 [ 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	2109.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
IC50	2500.0 nM	PMID9622542	BindingDB,ChEMBL
Ki	959.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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