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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	Aripiprazole
Molecular formula	C23H27Cl2N3O2
IUPAC name	7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
Molecular weight	448.388
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.6
Synonyms	SCHEMBL12961254 STK625160 ZINC1851149 Opc 14597 PubChem18143 C12564 7-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy]-3,4-dihydrocarbostyril; 7-{4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butoxy}-3,4-dihydroquinolin-2(1H)-one CHEMBL1112 7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-1,2,3,4-tetrahydroquinolin-2-one AB00639935-09 DTXSID3046083 Abilify Discmelt HMS2093F22 AC1Q3T38 J-005707 ALKS9070/ALKS9072 MLS000759517 Aripiprazole 1.0 mg/ml in Acetonitrile Aripiprazole; BC208491 7-(4-(4-(2,3-Dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydrocarbostyril SMR000466383 TL80090184 NCGC00159510-03 OPC-14597 S06-0010 CAS-129722-12-9 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-quinolin-2(1H)-one CTK0H5518 722A129 Discmelt (TN) AB07660 FT-0082572 Abilify MyCite HMS3393I18 AJ-32089 KS-00000XK7 AOB5922 MLS001424078 Aripiprazole solution, 1.0 mg/mL (50:50 Methanol/Water with 1% 1N HCl), ampule of 1 mL, certified reference material Aripirazole 4811-EP2298731A1 BDBM50130293 7-(4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy)-3,4-dihydrocarbostyril SBI-0206870.P001 SR-01000759353-6 UNII-82VFR53I78 NSC-759266 Pharmakon1600-01505851 7-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy]-3,4-dihydro-2(1H)-quinolinone CHEBI:31236 7-{4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy}-3, 4-dihydrocarbostyril D0P8CI A19454 DSSTox_GSID_46083 Abilify (TN) HMS2051I18 AC-1554 HSDB 7320 ALKS-9070 LS-142666 Aripiprazole (Abilify) Aripiprazole [USAN] 2(1H)-Quinolinone, 7-[4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy]-3,4-dihydro- Asprito BRD-K70358946-001-06-6 SCHEMBL5335696 SW197521-3 NC00141 OPC 14597; OPC 31 RTR-004086 C23H27Cl2N3O2 7-[4-[4-(2,3-Dichlorophenyl)-1-Piperazinyl]Butoxy]3,4-Dihydro-2(1H)-Quinolinone CPD000466383 7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-3,4-dihydroquinolin-2(1H)-one DB01238 AB00639935_10 EBD20357 Abilify Maintena HMS2230M18 ACMC-20emtv J10066 AM20090766 MLS001165779 Aripiprazole D8 aripiprazolum 4811-EP2269990A1 BCP04902 7-(4-(4-(2,3-Dichlorophenyl)-1-piperazinyl)butyloxy)-3,4-dihydro-2(1H)-quinolinone SR-01000759353 Tox21_111728 NCGC00159510-04 OPC-31 s1975 7-(4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy)-3,4-dihydroquinolin-2(1H)-one CCG-100891 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one D01164 82VFR53I78 DL-178 AB1006698 FT-0600352 Abilify OD HMS3657K13 AK-46736 KS-1030 aripiprazol MLS006011892 Aripiprazole solution, 1.0 mg/mL in acetonitrile, ampule of 1 mL, certified reference material 129722-12-9 Aristada (aripiprazole lauroxil) 4811-EP2298776A1 BMS-337039 SC-16317 ST2412627 Z1541632800 NSC759266 Pripiprazole 7-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy]-3,4-dihydrocarbostyril 7-{4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy}-3,4-dihydrocarbostyril D0Y2GK AB0008434 DSSTox_RID_81324 Abilify Digital HMS2089M20 AC1L1TXZ HY-14546 ALKS-9072 MCULE-4329329262 Aripiprazole (JAN/USAN/INN) Aripiprazole/escitalopram fixed-dose combination 24-29-3 BBL029082 7-(4-(4-(2,3-Dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydro-2(1H)-quinolinone Bristol-Myers Squibb brand of aripiprazole SCHEMBL8255 TL8000707 NCGC00159510-02 OPC 31 S-4507 CA0141 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one CS-0766 7-{4-[4-(2,3-dichlorophenyl)piperazino]butoxy}-3,4-dihydro-2(1H)-quinolinone Discmelt AB00639935_11 FC0025 Abilify Maintena Kit HMS3373D04 ACT03221 KB-47438 AN-902 MLS001195621 Aripiprazole Depot Aripiprex 4811-EP2272841A1 BCP9000317 7-(4-(4-(2,3-DICHLOROPHENYL)PIPERAZIN-1-YL)BUTOXY)-3,4-DIHYDROQUINOLIN-2(1H)-ONE SAM001246750 SR-01000759353-4 Tox21_111728_1 NCGC00159510-05 Otsuka brand of aripiprazole 7-[4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)butoxy]-3,4-dihydro-2(1H)-quinolinone CEUORZQYGODEFX-UHFFFAOYSA-N 7-{4-[-4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy}-3,4-dihydrocarbostyril D0H3HM 9SC DSSTox_CID_26083 Abilify GTPL34 Abilitat HMS3715J07 AKOS005558247 L001339 MolPort-002-885-808 Aripiprazole [USAN:INN:BAN] 2(1H)-Quinolinone, 7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydro- Arpizol 4811-EP2301936A1 BR-46736 [ Show all ]
Inchi Key	CEUORZQYGODEFX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
PubChem CID	60795
ChEMBL	CHEMBL1112
IUPHAR	34
BindingDB	50130293
DrugBank	DB01238
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	0.36 nM	PMID12784105, PMID27312422	PDSP,BindingDB,ChEMBL
Ki	0.36 nM	PMID27312422	BindingDB
Ki	1.259 nM	PMID17880057	ChEMBL
Ki	1.4 nM	, None	BindingDB,ChEMBL

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