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

You can:

GPCR

NameN-arachidonyl glycine receptor
SpeciesHomo sapiens (Human)
GeneGPR18
SynonymGPCRW
G-protein coupled receptor 18
N-arachidonoyol glycine receptor
NAGly receptor
GPR18
DiseaseN/A
Length331
Amino acid sequenceMITLNNQDQPVPFNSSHPDEYKIAALVFYSCIFIIGLFVNITALWVFSCTTKKRTTVTIYMMNVALVDLIFIMTLPFRMFYYAKDEWPFGEYFCQILGALTVFYPSIALWLLAFISADRYMAIVQPKYAKELKNTCKAVLACVGVWIMTLTTTTPLLLLYKDPDKDSTPATCLKISDIIYLKAVNVLNLTRLTFFFLIPLFIMIGCYLVIIHNLLHGRTSKLKPKVKEKSIRIIITLLVQVLVCFMPFHICFAFLMLGTGENSYNPWGAFTTFLMNLSTCLDVILYYIVSKQFQARVISVMLYRNYLRSMRRKSFRSGSLRSLSNINSEML
UniProtQ14330
Protein Data BankN/A
GPCR-HGmod modelQ14330
3D structure modelThis predicted structure model is from GPCR-EXP Q14330.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2384898
IUPHAR89
DrugBankBE0002304

Ligand

NameAC1LP5MB
Molecular formulaC15H16N2O3S
IUPAC name(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
Molecular weight304.364
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP2.5
Synonyms(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
CHEMBL3221181
Inchi KeyKPWCPPBAOAAQRC-FLIBITNWSA-N
Inchi IDInChI=1S/C15H16N2O3S/c1-19-12-5-4-10(9-13(12)20-2)8-11-14(18)17-6-3-7-21-15(17)16-11/h4-5,8-9H,3,6-7H2,1-2H3/b11-8-
PubChem CID1281704
ChEMBLCHEMBL3221181
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Activity0.0 %MedChemComm, (2014) 5:5:632ChEMBL
IC50<10000.0 nMMedChemComm, (2014) 5:5:632ChEMBL
Inhibition2.0 %MedChemComm, (2014) 5:5:632ChEMBL

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