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

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

NameCHEMBL3221199
Molecular formulaC21H19ClN2O2S
IUPAC name(2Z)-2-[[3-[(3-chlorophenyl)methoxy]phenyl]methylidene]-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]thiazepin-3-one
Molecular weight398.905
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP5.0
SynonymsN/A
Inchi KeyDFGYYJBCGOVQHP-UYRXBGFRSA-N
Inchi IDInChI=1S/C21H19ClN2O2S/c22-17-7-3-6-16(11-17)14-26-18-8-4-5-15(12-18)13-19-20(25)24-9-1-2-10-27-21(24)23-19/h3-8,11-13H,1-2,9-10,14H2/b19-13-
PubChem CID90667661
ChEMBLCHEMBL3221199
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
Inhibition15.0 %MedChemComm, (2014) 5:5:632ChEMBL

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