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GLASS

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GPCR

Name	5-hydroxytryptamine receptor 2B
Species	Homo sapiens (Human)
Gene	HTR2B
Synonym	stomach fundus serotonin receptor serotonin receptor 2B 5-HT2F 5-HT-2B 5-HT2B 5-HT2B receptor 5-hydroxytryptamine (serotonin) receptor 2B, G protein-coupled [ Show all ]
Disease	Psychoses Migraine Irritable bowel syndrome Depression; Cerebral infarction Coronary heart disease Congestive heart failure Pulmonary arterial hypertension [ Show all ]
Length	481
Amino acid sequence	MALSYRVSELQSTIPEHILQSTFVHVISSNWSGLQTESIPEEMKQIVEEQGNKLHWAALLILMVIIPTIGGNTLVILAVSLEKKLQYATNYFLMSLAVADLLVGLFVMPIALLTIMFEAMWPLPLVLCPAWLFLDVLFSTASIMHLCAISVDRYIAIKKPIQANQYNSRATAFIKITVVWLISIGIAIPVPIKGIETDVDNPNNITCVLTKERFGDFMLFGSLAAFFTPLAIMIVTYFLTIHALQKKAYLVKNKPPQRLTWLTVSTVFQRDETPCSSPEKVAMLDGSRKDKALPNSGDETLMRRTSTIGKKSVQTISNEQRASKVLGIVFFLFLLMWCPFFITNITLVLCDSCNQTTLQMLLEIFVWIGYVSSGVNPLVYTLFNKTFRDAFGRYITCNYRATKSVKTLRKRSSKIYFRNPMAENSKFFKKHGIRNGINPAMYQSPMRLRSSTIQSSSIILLDTLLLTENEGDKTEEQVSYV
UniProt	P41595
Protein Data Bank	5tud, 5tvn, 6drx, 4ib4, 4nc3, 6dry, 6drz, 6ds0
GPCR-HGmod model	P41595
3D structure model	This structure is from PDB ID 5tud.
BioLiP	BL0425280, BL0425283, BL0425282, BL0239858, BL0239859, BL0265182, BL0265183, BL0368464, BL0425281, BL0385686,BL0385687, BL0425284, BL0425285, BL0425286, BL0368465, BL0425287
Therapeutic Target Database	T31204
ChEMBL	CHEMBL1833
IUPHAR	7
DrugBank	BE0000393

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	CP-88,059 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-88059-1 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 88059-01 CP-8805927 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 CAS-146939-27-7 CP-88,059-01 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 CHEMBL708 CP-88059-27 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 CP 88059;CP-88059;CP88059 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 CHEBI:10119 CP-88,059-1 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 CP 88059 CP-880591 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 [ 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
Ki	1.585 nM	PMID17880057	ChEMBL
Ki	27.23 nM	http://pdsp.med.unc.edu/pdsp.php	PDSP

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