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	5-hydroxytryptamine receptor 2C
Species	Homo sapiens (Human)
Gene	HTR2C
Synonym	Serotonin receptor 2C serotonin 1c receptor 5-HT1C 5-HT2C 5-HT-2C 5-HT2C receptor 5-HTR2C 5-hydroxytryptamine (serotonin) receptor 2C, G protein-coupled 5-hydroxytryptamine receptor 1C HTR1C 5-HT-1C [ Show all ]
Disease	Pain Sleep initiation and maintenance disorders; Primary insomnia; Schizophrenia Unspecified Depression Drug abuse Generalized anxiety disorder; Major depressive disorder Major depressive disorder Metabolic disorders Psychotic disorders Mood disorder Neurological disease Obesity Obesity; Diabetes Migraine headaches Anxiety disorder Alcohol use disorders Aggressive non-hodgkin's lymphoma [ Show all ]
Length	458
Amino acid sequence	MVNLRNAVHSFLVHLIGLLVWQCDISVSPVAAIVTDIFNTSDGGRFKFPDGVQNWPALSIVIIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDEEKVFVNNTTCVLNDPNFVLIGSFVAFFIPLTIMVITYCLTIYVLRRQALMLLHGHTEEPPGLSLDFLKCCKRNTAEEENSANPNQDQNARRRKKKERRPRGTMQAINNERKASKVLGIVFFVFLIMWCPFFITNILSVLCEKSCNQKLMEKLLNVFVWIGYVCSGINPLVYTLFNKIYRRAFSNYLRCNYKVEKKPPVRQIPRVAATALSGRELNVNIYRHTNEPVIEKASDNEPGIEMQVENLELPVNPSSVVSERISSV
UniProt	P28335
Protein Data Bank	6bqg, 6bqh
GPCR-HGmod model	P28335
3D structure model	This structure is from PDB ID 6bqg.
BioLiP	BL0404805, BL0404806
Therapeutic Target Database	T83813
ChEMBL	CHEMBL225
IUPHAR	8
DrugBank	BE0004957, BE0004881, BE0000533

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	AB00053607 API0004256 C-21661 D08535 KB-212468 LS-176163 SCHEMBL34761 Sulconazol 1-[2,4-dichloro-beta-(4-chlorobenzylthio)phenethyl]imidazole 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 1H-Imidazole, 1-[2-[[(4-chlorophenyl)methyl]thio]-2-(2,4-dichlorophenyl)ethyl]- 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 AB00053607_16 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 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 61318-90-9 AKOS015961204 BSPBio_002953 cid_65495 IDI1_000220 KBioSS_001896 SBI-0051660.P002 Spectrum_001416 Sulcosyn 1-(beta-(4''-chlorobenzylthio)-2'4'-dichlorophenethyl)imidazole AB00053607_17 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 1H-Imidazole, 1-(2-(((4-chlorophenyl)methyl)thio)-2-(2,4-dichlorophenyl)ethyl)-, (+-)- 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 [ 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	2785.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	1459.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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