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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	Ziprasidone
Molecular formula	C21H21ClN4OS
IUPAC name	5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one
Molecular weight	412.936
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.0
Synonyms	CS-1071 DSSTox_GSID_23753 2H-Indol-2-one, 5-(2-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)ethyl)-6-chloro-1,3-dihydro- GTPL59 4770-EP2298776A1 MVWVFYHBGMAFLY-UHFFFAOYSA-N 5-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-ethyl]-6-chloro-1,3-dihydro-indol-2-one SMR000466328 5-{2-[4-(1,2-benzisothiazol-3-yl)piperazin-1-yl]ethyl}-6-chloro-1,3-dihydro-2H-indol-2-one W-5149 A808568 Ziprasidone (INN) AKOS015900383 C21H21ClN4OS CP-88,059 D0E0NJ FT-0654208 4770-EP2272537A2 I14-0766 4770-EP2316836A1 NCGC00263539-03 5-[2-[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]ethyl]-6-chloro-1,3-dihydro-2H-indol-2-one Tox21_112194 ZINC538550 AB00639925_05 Ziprasidone solution, 1.0 mg/mL in 1,2-dimethoxyethane, ampule of 1 mL, certified reference material API0004647 CP-88059-1 DB00246 138982-67-9 (hydrochloride monohydrate) Geodon (TN) 4770-EP2280010A2 MLS000759435 5-(2-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)ethyl)-6-chloro-1,3-dihydro-2H-indole-2-one SC-22049 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one UNII-6UKA5VEJ6X 6UKA5VEJ6X ziprasidona AC1L1U27 ziprazidone BIDD:GT0042 CP 88059-01 CP-8805927 CZ0013 DSSTox_RID_77186 2H-Indol-2-one, 5-[2-[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]ethyl]-6-chloro-1,3-dihydro- HSDB 7745 4770-EP2301936A1 NCGC00186050-01 5-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-ethyl]-6-chloro-1,3-dihydro-indol-2-one (Ziprasidone) TC-5280 5-{2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl}-6-chloro-1,3-dihydro-2H-indol-2-one Zeldox AB00639925-02 Ziprasidone hydrochloride AM90310 CAS-146939-27-7 CP-88,059-01 D0R1JV FT-0655916 4770-EP2272841A1 L000659 5-(2-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)-ethyl)-6-chloro-1,3-dihydro-2H-indol-2-one NCGC00263539-05 5-[2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]ethyl]-6-chloro-1,3-dihydroindol-2-one Tox21_112194_1 Zipradon AB00639925_06 Ziprasidone [INN:BAN] BC643069 CHEMBL708 CP-88059-27 CPD000466328 DSSTox_CID_3753 146939-27-7 Geodon Oral 4770-EP2298731A1 MolPort-003-850-885 5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-6-chloroindolin-2-one SCHEMBL28028 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-indolin-2-one VU0286234-2 883Z936 AJ-23401 C07568 CP 88059;CP-88059;CP88059 D08687 DTXSID4023753 4169AH HY-14542 4770-EP2308875A1 NCGC00263539-01 5-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-ethyl]-6-chloro-1,3-dihydro-indol-2-one(Norastemizole) TL8000889 5-{2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl}-6-chloro-2,3-dihydro-1H-indol-2-one Zeldox (TN) AB00639925-04 Ziprasidone mesylate trihydrate AN-16930 CHEBI:10119 CP-88,059-1 122883-93-6,138982-67-9(ClH.H2O),146939-27-7(freebase) Geodon 4770-EP2275420A1 LS-83744 5-(2-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)ethyl)-6-chloro-1,3-dihydro-2h-indol-2-one SAM001246607 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloranyl-1,3-dihydroindol-2-one Tox21_113525 6-chloro-5-[2-[4-(7-thia-8-azabicyclo[4.3.0]nona-1,3,5,8-tetraen-9-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one Zipradon (TN) AC-23360 ziprasidonum BDBM50048803 CP 88059 CP-880591 [ Show all ]
Inchi Key	MVWVFYHBGMAFLY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
PubChem CID	60854
ChEMBL	CHEMBL708
IUPHAR	59
BindingDB	50048803
DrugBank	DB00246
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	0.99 nM	PMID8935801	PDSP,BindingDB
Ki	4.0 nM	http://pdsp.med.unc.edu/pdsp.php	PDSP
Ki	5.01187 nM	PMID8935801	IUPHAR

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