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	Rilmenidine
Molecular formula	C10H16N2O
IUPAC name	N-(dicyclopropylmethyl)-4,5-dihydro-1,3-oxazol-2-amine
Molecular weight	180.251
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	1.2
Synonyms	N-(Dicyclopropylmethyl)-4,5-dihydro-1,3-oxazol-2-amine NCGC00015884-05 NCGC00021689-02 Oxaminozoline 2-Oxazolamine, 4,5-dihydro-N-(dicyclopropylmethyl)- Rilmenidia [Spanish] AC1L2AAM S3341 BSPBio_001043 Tox21_110254 CHEMBL289480 DTXSID3045194 Hyperium (TN) Lopac-R-134 N-(Dicyclopropylmethyl)-N-(4,5-dihydro-1,3-oxazol-2-yl)amine NCGC00015884-08 NCGC00021689-06 187R041 Prestwick0_000982 54187-04-1 Rilmenidine [INN] AN-40635 SR-01000002992 C11120 UNII-P67IM25ID8 FCH842460 LS-100036 NCGC00015884-03 NCGC00015884-11 NSC-664312 2-(dicyclopropylmethylamino) oxazoline Prestwick3_000982 AB07513 S-3341 BPBio1_001149 Tenaxum;HYPERIUM CHEBI:8862 DSSTox_GSID_45194 HMS3263M10 N-(Dicyclopropylmethyl)-4,5-dihydro-2-oxazolamine; NCGC00015884-06 NCGC00021689-04 Oxazolidine, 2-((dicyclopropylmethyl)imino)- 2-Oxazolamine, N-(dicyclopropylmethyl)-4,5-dihydro- AC1Q4UHN SCHEMBL114420 C-06746 Tox21_110254_1 CQXADFVORZEARL-UHFFFAOYSA-N EINECS 259-021-0 I14-6505 Lopac0_001104 NCGC00015884-01 NCGC00015884-09 NCGC00261789-01 2-((Dicyclopropylmethyl)amino)-2-oxazoline Prestwick1_000982 AB00513728-09 Rilmenidinum [Latin] BC220360 SR-01000002992-3 CAS-54187-04-1 W-105661 DB11738 FT-0630668 Methylamine, 1,1-dicyclopropyl-N-(2-oxazolinyl)- NCGC00015884-04 NCGC00015884-13 NSC664312 2-(Dicyclopropylmethylamino)-2-oxazoline R-134 AB2000100 S-3341-3 BRN 1211287 Tocris-0790 DSSTox_RID_80741 Hyperium N-(Dicyclopropylmethyl)-4,5-dihydrooxazol-2-amine NCGC00015884-07 NCGC00021689-05 (N-dicyclopropylmethyl)-amino-2-oxazoline P67IM25ID8 Rilmenidine (INN) AKOS006273431 SPBio_002944 C10H16N2O Tox21_501104 D08482 EU-0101104 L001230 LP01104 NCGC00015884-02 NCGC00015884-10 NCI60_022181 2-((Dicyclopropylmethyl)imino)oxazolidine Prestwick2_000982 AB00514648 S 3341 BDBM50070328 SR-01000002992-4 CCG-205180 ZINC9708 DSSTox_CID_25194 HMS2089G15 [ Show all ]
Inchi Key	CQXADFVORZEARL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H16N2O/c1-2-7(1)9(8-3-4-8)12-10-11-5-6-13-10/h7-9H,1-6H2,(H,11,12)
PubChem CID	68712
ChEMBL	CHEMBL289480
IUPHAR	N/A
BindingDB	50070328
DrugBank	DB11738
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	190.55 nM	Bioorg. Med. Chem. Lett., (1994) 4:19:2317	ChEMBL
EC50	191.0 nM	N/A	BindingDB
Ki	12.59 nM	PMID22750139	ChEMBL
Ki	288.0 nM	N/A	BindingDB
Ki	288.4 nM	Bioorg. Med. Chem. Lett., (1994) 4:19:2317	ChEMBL

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