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-2C adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA2C
Synonym	alpha2-C4 Adra-2c ADRA2L2 ADRA2RL2 Adrenergic alpha2C- receptor class I adrenergic receptor alpha-2 adrenergic receptor subtype C4 alpha2C-adrenoceptor alpha-2C adrenergic receptor Alpha-2C adrenoceptor alpha-2C adrenoreceptor Alpha-2CAR [ Show all ]
Disease	Diabetic nephropathy; Fibromyalgia Hypertension Heart failure Glaucoma Alzheimer disease Asthma Erythema Contusion Depression Hypotension Male sexual disorders Neurological disease Obesity Ocular disease Allergic rhinitis Alcohol use disorders Ocular hypertension Poison intoxication Peptic ulcer Pain [ Show all ]
Length	462
Amino acid sequence	MASPALAAALAVAAAAGPNASGAGERGSGGVANASGASWGPPRGQYSAGAVAGLAAVVGFLIVFTVVGNVLVVIAVLTSRALRAPQNLFLVSLASADILVATLVMPFSLANELMAYWYFGQVWCGVYLALDVLFCTSSIVHLCAISLDRYWSVTQAVEYNLKRTPRRVKATIVAVWLISAVISFPPLVSLYRQPDGAAYPQCGLNDETWYILSSCIGSFFAPCLIMGLVYARIYRVAKLRTRTLSEKRAPVGPDGASPTTENGLGAAAGAGENGHCAPPPADVEPDESSAAAERRRRRGALRRGGRRRAGAEGGAGGADGQGAGPGAAESGALTASRSPGPGGRLSRASSRSVEFFLSRRRRARSSVCRRKVAQAREKRFTFVLAVVMGVFVLCWFPFFFSYSLYGICREACQVPGPLFKFFFWIGYCNSSLNPVIYTVFNQDFRRSFKHILFRRRRRGFRQ
UniProt	P18825
Protein Data Bank	N/A
GPCR-HGmod model	P18825
3D structure model	This predicted structure model is from GPCR-EXP P18825.
BioLiP	N/A
Therapeutic Target Database	T01777
ChEMBL	CHEMBL1916
IUPHAR	27
DrugBank	BE0004864, BE0000342, BE0004888

Ligand

Name	xylazine
Molecular formula	C12H16N2S
IUPAC name	N-(2,6-dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
Molecular weight	220.334
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	2.8
Synonyms	TRA0042707 Xylasol Xylazine [USAN:INN:BAN] NCGC00016098-04 Anased NCGC00038586-03 BCP0726000235 Prestwick0_000598 BSPBio_003023 Rompun (Salt/Mix) CS-2549 SPBio_001315 DSSTox_RID_79519 SR-01000075296 HMS2092L07 (5,6-Dihydro-4H-[1,3]thiazin-2-yl)-(2,6-dimethyl-phenyl)-amine IDI1_000449 23076-35-9 (mono-hydrochloride) KM1558 4H-1,3-Thiazine-2-amine, N-(2,6-dimethylphenyl)-5,6-dihydro- (9CI) MLS000054617 AB00052246_17 X5891 Xylazin Xylazine, >=99% AC-22589 NCGC00016098-07 BAY-VA-1470 NINDS_000449 BPBio1_000524 Prestwick3_000598 CCG-39193 SC-47279 D0Y2JI Spectrum2_001448 FT-0654963 HMS3369L20 2,6-Xylidine, N-(5,6-dihydro-4H-1,3-thiazinyl)- KBio2_004315 361X617 L001033 N-(2,6-Dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine Tox21_110303 Xylapan Xylazine (USP/INN) Xylzin NCGC00016098-02 AK117805 NCGC00016098-11 BCBcMAP01_000167 Opera_ID_1260 BRD-K21565985-001-15-9 Rometar SMP1_000319 DSSTox_CID_20643 Spectrum5_001250 HMS1921P17 (2,6-Dimethyl-phenyl)-[1,3]thiazinan-2-ylidene-amine HY-B0443 2-(2,6-Dimethylphenylamino)-5,6-dihydro-4H-thiazine hydrochloride KBioGR_000937 4H-1,3-Thiazine, 5,6-dihydro-2-(2,6-xylidino)- LS-150494 AB00052246-15 UNII-2KFG9TP5V8 Xylasol (Salt/Mix) Xylazine [USP:INN:BAN] AB00052246_18 NCGC00016098-05 AS-54468 NCGC00038586-04 BDBM50027069 Prestwick1_000598 C-46044 SBB038475 CTK5D8365 SPBio_002695 DTXSID3040643 HMS2096H18 (5,6-Dihydro-4H-[1,3]thiazin-2-yl)-(2,6-dimethyl-phenyl)-amine;N-(2,6-Dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine KBio1_000449 29335-81-7 KS-00000H9L 5,6-Dihydro-2-(2,6-xylidino)-4H-1,3-thiazine MLS000881122 SR-01000075296-4 Xilazina Xylazinum AC1L1KYH NCGC00016098-08 Bayer 1470 NSC-758142 BPICBUSOMSTKRF-UHFFFAOYSA-N Prestwick_962 Chanazine (TN) SCHEMBL15487 Spectrum3_001472 GTPL523 HMS3713H18 2-(2,6-Dimethylanilino)-5,6-dihydro-4H-1,3-thiazine KBio2_006883 4H-1,3-Thiazin-2-amine, N-(2,6-dimethylphenyl)-5,6-dihydro- Lopac-X-1251 7361-61-7 Narcoxyl Tox21_110303_1 Xylapan (Salt/Mix) xylazine free base ZINC2248 NCGC00016098-03 AKOS000115960 NCGC00038586-02 BCP03045 Pharmakon1600-01501200 BSPBio_000476 Rompun CHEMBL297362 SMR000061135 DSSTox_GSID_40643 Spectrum_001267 HMS2089E20 (2,6-dimethylphenyl)-4,5-dihydro-6H-1,3-thiazin-2-ylamine I06-1056 2-[2,6-Dimethylphenylamino]-4H-5,6-dihydroxthiazine KBioSS_001747 4H-1,3-Thiazine-2-amine, N-(2,6-dimethylphenyl)-5,6-dihydro- MFCD00057908 AB00052246-16 WH 7286 Xylaxine Xylazine(Rompun) AB2000618 NCGC00016098-06 BAY 1470 NCGC00038586-05 BDBM50225286 Prestwick2_000598 CAS-7361-61-7 SBI-0051216.P003 D08683 SPECTRUM1501200 EINECS 230-902-1 HMS2232F24 KBio2_001747 2KFG9TP5V8 KSC638G6L MolPort-000-869-370 SR-01000075296-6 Xilazina [INN-Spanish] Xylazine (free base) Xylazinum [INN-Latin] NCGC00016098-01 AJ-08151 NCGC00016098-09 BC252840 NSC758142 BRD-K21565985-001-05-0 Primazine CHEBI:92386 Sedomin DivK1c_000449 Spectrum4_000239 HMS1569H18 HMS501G11 2-(2,6-Dimethylphenylamino)-4H-5,6-dihydro-1,3-thiazine KBio3_002523 4H-1,3-Thiazin-2-amine,N-(2,6-dimethylphenyl)-5,6-dihydro- Lopac0_001249 AB00052246-13 [ Show all ]
Inchi Key	BPICBUSOMSTKRF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H16N2S/c1-9-5-3-6-10(2)11(9)14-12-13-7-4-8-15-12/h3,5-6H,4,7-8H2,1-2H3,(H,13,14)
PubChem CID	5707
ChEMBL	CHEMBL297362
IUPHAR	523
BindingDB	50027069
DrugBank	DB11477
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	<10000.0 nM	PMID9605427	PDSP,BindingDB
Ki	1258.93 - 15848.9 nM	PMID9605427	IUPHAR

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