Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	Alpha-2B adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA2B
Synonym	alpha2-C2 alpha2B alpha2B-adrenoceptor Alpha-2BAR alpha-2B adrenoreceptor Alpha-2B adrenoceptor alpha-2B adrenergic receptor Alpha-2 adrenergic receptor subtype C2 adrenergic receptor Adrenergic alpha2B- receptor class III ADRA2RL1 ADRA2L1 Adra-2b [ Show all ]
Disease	Neuropathic pain Alcohol use disorders
Length	450
Amino acid sequence	MDHQDPYSVQATAAIAAAITFLILFTIFGNALVILAVLTSRSLRAPQNLFLVSLAAADILVATLIIPFSLANELLGYWYFRRTWCEVYLALDVLFCTSSIVHLCAISLDRYWAVSRALEYNSKRTPRRIKCIILTVWLIAAVISLPPLIYKGDQGPQPRGRPQCKLNQEAWYILASSIGSFFAPCLIMILVYLRIYLIAKRSNRRGPRAKGGPGQGESKQPRPDHGGALASAKLPALASVASAREVNGHSKSTGEKEEGETPEDTGTRALPPSWAALPNSGQGQKEGVCGASPEDEAEEEEEEEEEEEECEPQAVPVSPASACSPPLQQPQGSRVLATLRGQVLLGRGVGAIGGQWWRRRAQLTREKRFTFVLAVVIGVFVLCWFPFFFSYSLGAICPKHCKVPHGLFQFFFWIGYCNSSLNPVIYTIFNQDFRRAFRRILCRPWTQTAW
UniProt	P18089
Protein Data Bank	N/A
GPCR-HGmod model	P18089
3D structure model	This predicted structure model is from GPCR-EXP P18089.
BioLiP	N/A
Therapeutic Target Database	T41580
ChEMBL	CHEMBL1942
IUPHAR	26
DrugBank	BE0000572

Ligand

Name	loxapine
Molecular formula	C18H18ClN3O
IUPAC name	8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine
Molecular weight	327.812
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.1
Synonyms	Staccato loxapine DivK1c_006919 Hydrofluoride 3170 LER583670J 13-chloro-10-(4-methylpiperazin-1-yl)-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,9,12,14-heptaene Loxapina [INN-Spanish] Loxapinum 977L102 Loxitane-C Oral Suspension API0006785 NCGC00021145-06 BSPBio_000204 PDSP2_001042 CL 62,362 SCHEMBL94146 D02340 DB00408 UNII-LER583670J GTPL205 KBio2_003403 Lossapina [DCIT] 2-Chloro-11-(4-methyl-1-piperazinyl)dibenz(b,f)(1,4)oxazepine Loxapine (USAN/INN) 3785AH Loxitane AC1L1H3Z NCGC00021145-01 BPBio1_000226 NCGC00022279-03 C18H18ClN3O Prestwick2_000132 CL-71,563 SpecPlus_000823 Spectrum5_001857 Dibenzoazepine ZINC19796158 HSDB 3111 KBioSS_000835 Loxapin 2-Chloro-11-(4-methylpiperazino)dibenzo(b,f)(1,4)oxazepine Loxapine [USAN:INN:BAN] 8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,5]benzoxazepine Loxitane IM Adasuve (TN) NCGC00021145-04 BRD-K39915878-036-15-2 Oxilapine S 805 Cloxazepine D0U5OE SUM 3170 DTXSID7023229 KBio1_001863 Lopac0_000720 1977-10-2 Loxapinum [INN-Latin] AB00053735_15 LS-61562 AZ-004 NCGC00021145-07 BSPBio_003479 Prestwick0_000132 CL 62362 SPBio_001814 Dibenz(b,f)(1,4)oxazepine, 2-chloro-11-(4-methyl-1-piperazinyl)- W-5098 HF 3170 KBio2_005971 Loxapac 2-Chloro-11-(4-methyl-1-piperazinyl)dibenz[b,f][1,4]oxazepine Loxapine (water) 54810-23-0 (mono-hydrochloride) Loxitane (TN) AC1Q3ZWR NCGC00021145-02 BRD-K39915878-036-04-6 NCGC00022279-04 CCG-204805 Prestwick3_000132 CL-71563 Spectrum2_001737 Spectrum_000355 Dibenz[b,f][1,4]oxazepine, 2-chloro-11-(4-methyl-1-piperazinyl)- HY-17390 L001085 13-chloro-10-(4-methylpiperazin-1-yl)-2-oxa-9-azatricyclo[9.4.0.0;{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaene Loxapina 2-Chloro-11-(4-methylpiperazino)dibenz[b,f][1,4]oxazepine Loxapinsuccinate 8-chloro-6-(4-methylpiperazino)benzo[b][1,4]benzoxazepine;succinic acid Loxitane Intramuscular AKOS030526111 NCGC00021145-05 BRN 0626753 PDSP1_001058 CHEMBL831 S-805 CS-1105 SUM-3170 EINECS 217-835-3 KBio2_000835 Lossapina 2-Chloro-11-(4-methyl-1-piperazinyl)-dibenz(b,f)(1,4)oxazepine Loxapine (DMSO) 27833-64-3 (succinate) Loxepine AB00053735_16 LW 3170 BDBM22871 NCGC00021145-08 C07104 Prestwick1_000132 CL-62362 SPBio_002143 Spectrum3_001830 Dibenzacepin XJGVXQDUIWGIRW-UHFFFAOYSA-N HF3170 KBio3_002983 Loxapac (TN) 2-chloro-11-(4-methylpiperazin-1-yl)dibenzo[b,f][1,4]oxazepine Loxapine [USAN:BAN:INN] 8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine LOXITANE C Adasuve NCGC00021145-03 BRD-K39915878-036-05-3 NCGC00022279-05 CHEBI:50841 QTL1_000050 CL71,563 [ Show all ]
Inchi Key	XJGVXQDUIWGIRW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3
PubChem CID	3964
ChEMBL	CHEMBL831
IUPHAR	205
BindingDB	22871
DrugBank	DB00408
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	107.6 nM	PMID12629531	PDSP,BindingDB
Ki	108.0 nM	http://pdsp.med.unc.edu/pdsp.php	PDSP

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417