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GPCR

Name	Alpha-2B adrenergic receptor
Species	Didelphis virginiana (North American opossum)
Gene	ADRA2B
Synonym	Alpha-2B adrenoceptor Alpha-2B adrenoreceptor Alpha-2BAR
Disease	N/A for non-human GPCRs
Length	382
Amino acid sequence	AIAAVITFLILFTIFGNALVILAVLTSRSLRAPQNLFLVSLAAADILVATLIIPFSLANELLGYWYFRHTWCEVYLALDVLFCTSSIVHLCAISLDRYWSVSRALEYNSKRTPRRIKGIILTVWLIAAFISLPPLIYKGDKGKKPGGRPQCKLNEEAWYILSSSIGSFFAPCLIMILVYLRIYLIAKRRNRQGPHGKQAPGDGDTGPSALGGTSTISKLPPSILPAVGEANGHSKPPGEREGGEQMGDPTSPSTPPNQSSVGPEDGSQKQEEEEEEEEEEEEECGPPAPPTSSSLQGTPNFQPSQGSQVLATLRGQVLLARGPASLGLQPWRRRTQMNREKRFTFVLAVVIGVFVLCWFPFFFSYSLGAICPQHCKVPHGLF
UniProt	O77715
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	N/A
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	Ketanserin
Molecular formula	C22H22FN3O3
IUPAC name	3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione
Molecular weight	395.434
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.6
Synonyms	Ketanserine [INN-French] 3-{2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl}-2,4(1H,3H)-quinazolinedione MolPort-003-666-642 A838000 NCGC00021146-08 AOB5639 NSC-758959 BRD-K49671696-347-02-8 R 41468;Vulketan Gel SBI-0051158.P003 DSSTox_CID_3188 Sufrexal FT-0653664 HY-10562 Ketanserin (Vulketan Gel) 3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]-ethyl]-2,4-[1H, 3H]-quinazolinedione W-104435 3-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-1H-quinazoline-2,4-dione Ketaserin 3-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}quinazoline-2,4(1H,3H)-dione NCGC00021146-03 AC-2024 NCGC00024865-01 BC202701 PDSP2_000634 C22H22FN3O3 R-41468 CTK8G0431 Serefrex DTXSID3023188 GTPL88 191037-EP2280008A2 K261 3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H,3H)-quinazolinedione Ketanserin [USAN:INN:BAN] Tocris-0908 [3H]ketanserin Ketanserina [INN-Spanish] 3-[2-[4-(p-Fluorobenzoyl)piperidino]ethyl]-2,4-(1H,3H)-quinazolinedione LS-140148 NCGC00021146-06 AKOS015895130 NCGC00024865-04 BPBio1_001356 R 41,468 CCG-39512 RL04800 SPECTRUM1505346 FPCCSQOGAWCVBH-UHFFFAOYSA-N HMS2094I03 2,4(1H,3H)-Quinazolinedione, 3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]- 3-(2-{4-[(4-fluorophenyl)carbonyl]piperidin-1-yl}ethyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione UNII-97F9DE4CT4 Ketanserinum 3-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione NCGC00021146-01 AB0014126 NCGC00021146-09 API0003079 NSC758959 C-21630 R-41,468 CHEMBL51 SC-17248 DSSTox_GSID_23188 SW196882-3 GS-3601 050K989 I06-0365 3-(2-(4-(4-Fluorobenzoyl)piperidin-1-yl)-ethyl)quinazoline-2,4(1H,3H)-dione Ketanserin tartrate 3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-2,4(1H,3H)-quinazolinedione ZINC537877 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione KS-00000XLH 74050-98-9 NCGC00021146-04 AC1L1GSK NCGC00024865-02 BDBM21395 Perketal CAS-74050-98-9 R41 468 D02363 SMR001550601 EINECS 277-680-2 HMS1923O11 KB-67327 3-(2-(4-(p-Fluorobenzoyl)piperidino)ethyl)-2,4-(1H,3H)-quinazolinedione KETANSERIN, Ketanserin tartrate hydrate, KETANSERIN TARTRATE Tox21_110865 Ketanserine 3-[2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]ethyl]-1H-quinazoline-2,4-dione MLS006010073 97F9DE4CT4 NCGC00021146-07 AN-5822 NCGC00024865-05 BRD-K49671696-001-02-1 R 41468 CHEBI:6123 s2232 DB12465 Spectrum2_001713 FT-0630827 (+)-3-[2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl]-2,4(1H,3H)-quinazolinedione HMS3655H14 2,4(1H,3H)-Quinazolinedione,3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]- Ketanserin (USAN/INN) 3-(2-{4-[(4-fluorophenyl)carbonyl]piperidin-1-yl}ethyl)quinazoline-2,4(1H,3H)-dione Vulketan Gel Ketanserinum [INN-Latin] 3-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-1H-quinazoline-2,4-dione NCGC00021146-02 AB2000544 NCGC00021146-12 AX8034794 PDSP1_000639 C07464 R-41-468 CS-6055 SCHEMBL34294 DSSTox_RID_76913 GTPL197 191037-EP2275420A1 K0051 3-(2-(4-(4-Fluorobenzoyl)piperidin-1-yl)ethyl)quinazoline-2,4(1H,3H)-dione Ketanserin [USAN:BAN:INN] 3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-2,4-(1H,3H)-quinazolinedione Taseron [3H]-Ketanserin 3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione L000764 83846-83-7 NCGC00021146-05 AJ-23373 NCGC00024865-03 Biomol-NT_000096 Pharmakon1600-01505346 CC-29757 R41,468 D08VRO SPBio_001726 F2173-1039 HMS2090H18 2,4(1H,3H)-Quinazolinedione, 3-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)- Kentanserin 3-(2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl)-2,4(1H,3H)-quinazolinedione # Ketanserina Tox21_110865_1 [ Show all ]
Inchi Key	FPCCSQOGAWCVBH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
PubChem CID	3822
ChEMBL	CHEMBL51
IUPHAR	88, 197
BindingDB	21395
DrugBank	DB12465
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	143.0 nM	PMID2894455	BindingDB

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