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

NameG-protein coupled receptor 182
SpeciesHomo sapiens (Human)
GeneGPR182
SynonymNOW
L1-R
GPR182
Gpcr22
Gpcr17
[ Show all ]
DiseaseN/A
Length404
Amino acid sequenceMSVKPSWGPGPSEGVTAVPTSDLGEIHNWTELLDLFNHTLSECHVELSQSTKRVVLFALYLAMFVVGLVENLLVICVNWRGSGRAGLMNLYILNMAIADLGIVLSLPVWMLEVTLDYTWLWGSFSCRFTHYFYFVNMYSSIFFLVCLSVDRYVTLTSASPSWQRYQHRVRRAMCAGIWVLSAIIPLPEVVHIQLVEGPEPMCLFMAPFETYSTWALAVALSTTILGFLLPFPLITVFNVLTACRLRQPGQPKSRRHCLLLCAYVAVFVMCWLPYHVTLLLLTLHGTHISLHCHLVHLLYFFYDVIDCFSMLHCVINPILYNFLSPHFRGRLLNAVVHYLPKDQTKAGTCASSSSCSTQHSIIITKGDSQPAAAAPHPEPSLSFQAHHLLPNTSPISPTQPLTPS
UniProtO15218
Protein Data BankN/A
GPCR-HGmod modelO15218
3D structure modelThis predicted structure model is from GPCR-EXP O15218.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4356
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL372706
Molecular formulaC37H38N6O2
IUPAC name4-benzyl-3-[5-[4-benzyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]pentyl]-5-(phenoxymethyl)-1,2,4-triazole
Molecular weight598.751
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP6.7
SynonymsN/A
Inchi KeyLCURXQYWHZFBHZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C37H38N6O2/c1-6-16-30(17-7-1)26-42-34(38-40-36(42)28-44-32-20-10-3-11-21-32)24-14-5-15-25-35-39-41-37(29-45-33-22-12-4-13-23-33)43(35)27-31-18-8-2-9-19-31/h1-4,6-13,16-23H,5,14-15,24-29H2
PubChem CID11273402
ChEMBLCHEMBL372706
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Affinity14.0 %PMID15943480ChEMBL

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