Zhang Lab

University of Michigan

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 ●DMFold ●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	DEXMEDETOMIDINE
Molecular formula	C13H16N2
IUPAC name	5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole
Molecular weight	200.285
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	3.1
Synonyms	KS-00000G0F s3075 UNII-MR15E85MQM component CUHVIMMYOGQXCV-NSHDSACASA-N 2371AH 67VB76HONO BDBM50085683 D0U3DU DexmedetomidineHclC13H16N2.Hcl MPV 1440 SCHEMBL26433 (S)-5-(1-(2,3-Dimethylphenyl)ethyl)-1H-imidazole 4-[(1S)-1-(2,3-dimethylphenyl)ethyl]-3H-imidazole AC1NSJXT Dexdor FT-0666307 Precedex (TN) TPU 006 1H-Imidazole, 4-[(1S)-1-(2,3-dimethylphenyl)ethyl]- AKOS026750524 CUHVIMMYOGQXCV-NSHDSACASA-N Dexmedetomidina Dexmedetomidine (USAN/INN) MCULE-5424054659 SB17478 ZINC4632106 (+)-(S)-4-[1-(2,3-dimethylphenyl) ethyl]-1H -imidazole monohydrochloride 4-[(1S)-1-(2,3-Dimethylphenyl)ethyl]-1H-imidazol AB01566872_01 C07450 Dexmedetomidinum MPV-1440 SW219607-1 108D583 4-[(s)-1-(2,3-dimethyl-phenyl)-ethyl]-1h-imidazole AK310842 CHEMBL778 Dexdor (TN) Dexmedetomidina [INN-Spanish] GTPL521 RT-012294 UNII-67VB76HONO 1H-Imidazole,5-[(1S)-1-(2,3-dimethylphenyl)ethyl]- API0000529 D00514 Dexmedetomidine [USAN:INN:BAN] MolPort-035-395-718 SC-78886 (+)-4-((S)-alpha,2,3-Trimethylbenzyl)imidazole 4-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole AB01566872_02 CHEBI:4466 DB00633 Dexmedetomidinum [INN-Latin] NCGC00025347-01 Tocris-2023 113775-47-6 5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole AKOS025149503 CTK8E7442 Dexmedetomidin [ Show all ]
Inchi Key	CUHVIMMYOGQXCV-NSHDSACASA-N
Inchi ID	InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1
PubChem CID	5311068
ChEMBL	CHEMBL778
IUPHAR	521
BindingDB	50085683
DrugBank	DB00633
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	0.48 nM	None	ChEMBL
Emax	90.0 %	None	ChEMBL
Ki	0.501187 - 100.0 nM	PMID9824686, PMID9605427, PMID9760042	IUPHAR
Ki	30.9 nM	PMID17630725	ChEMBL
Ki	31.0 nM	PMID17630725	BindingDB
pKiH	10.04 -	PMID17630725	ChEMBL
pKiL	8.26 -	PMID17630725	ChEMBL

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218