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	sulconazole
Molecular formula	C18H15Cl3N2S
IUPAC name	1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole
Molecular weight	397.742
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	6.1
Synonyms	API0004256 C-21661 D08535 KB-212468 LS-176163 SCHEMBL34761 Sulconazol 1-[2,4-dichloro-beta-(4-chlorobenzylthio)phenethyl]imidazole AB00053607 AB0010744 BPBio1_000747 CC-34587 DivK1c_000220 KBio2_004464 Prestwick0_000810 Spectrum2_001422 Sulconazole (INN) (+-)-1-(2,4-Dichlor-beta-((4-chlorbenzyl)thio)phenethyl)imidazol 1-[beta-[(4-Chlorobenzyl)thio]-2,4-dichlorophenethyl]-1H-imidazole AFNXATANNDIXLG-UHFFFAOYSA-N BSPBio_000679 CHEMBL1221 FT-0630725 KBioGR_000792 Prestwick3_000810 Spectrum5_001155 Sulconazolum [INN-Latin] 1-(2-(4-chlorobenzylthio)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole 1H-Imidazole, 1-[2-[[(4-chlorophenyl)methyl]thio]-2-(2,4-dichlorophenyl)ethyl]- AX8152129 C08076 D0X8XA KBio1_000220 NCGC00018250-02 SPBio_001524 Sulconazol [INN-Spanish] ( -)-1-(2,4-Dichlor-beta-((4-chlorbenzyl)thio)phenethyl)imidazol 1-[2-(4-Chloro-benzylsulfanyl)-2-(2,4-dichloro-phenyl)-ethyl]-1H-imidazole AB00053607_16 AC-13116 BRD-A70649075-008-05-0 CHEBI:77776 DTXSID8044129 KBio2_007032 Prestwick1_000810 Spectrum3_001457 Sulconazole [INN:BAN] (+-)-1-(2,4-dichloro-beta-((p-chlorobenzyl)thio)phenethyl)imidazole 1-{2-[(4-chlorobenzyl)sulfanyl]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole AKOS015961204 BSPBio_002953 cid_65495 IDI1_000220 KBioSS_001896 SBI-0051660.P002 Spectrum_001416 Sulcosyn 1-(beta-(4''-chlorobenzylthio)-2'4'-dichlorophenethyl)imidazole 61318-90-9 BDBM31770 C18H15Cl3N2S DB06820 KBio2_001896 NINDS_000220 SPBio_002600 ( -)-1-(2,4-dichloro-beta-((p-chlorobenzyl)thio)phenethyl)imidazole 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole AB00053607_17 AC1L1K35 BRD-A70649075-008-17-5 Exelderm KBio3_002453 Prestwick2_000810 Spectrum4_000436 Sulconazolum 1-(2-((4-Chlorobenzyl)thio)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole 1H-Imidazole, 1-(2-(((4-chlorophenyl)methyl)thio)-2-(2,4-dichlorophenyl)ethyl)-, (+-)- [ Show all ]
Inchi Key	AFNXATANNDIXLG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H15Cl3N2S/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
PubChem CID	5318
ChEMBL	CHEMBL1221
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	4934.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	717.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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