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

NameProbable G-protein coupled receptor 34
SpeciesHomo sapiens (Human)
GeneGPR34
SynonymGPR34
DiseaseN/A
Length381
Amino acid sequenceMRSHTITMTTTSVSSWPYSSHRMRFITNHSDQPPQNFSATPNVTTCPMDEKLLSTVLTTSYSVIFIVGLVGNIIALYVFLGIHRKRNSIQIYLLNVAIADLLLIFCLPFRIMYHINQNKWTLGVILCKVVGTLFYMNMYISIILLGFISLDRYIKINRSIQQRKAITTKQSIYVCCIVWMLALGGFLTMIILTLKKGGHNSTMCFHYRDKHNAKGEAIFNFILVVMFWLIFLLIILSYIKIGKNLLRISKRRSKFPNSGKYATTARNSFIVLIIFTICFVPYHAFRFIYISSQLNVSSCYWKEIVHKTNEIMLVLSSFNSCLDPVMYFLMSSNIRKIMCQLLFRRFQGEPSRSESTSEFKPGYSLHDTSVAVKIQSSSKST
UniProtQ9UPC5
Protein Data BankN/A
GPCR-HGmod modelQ9UPC5
3D structure modelThis predicted structure model is from GPCR-EXP Q9UPC5.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3562165
IUPHAR101
DrugBankN/A

Ligand

NameCHEMBL3577167
Molecular formulaC22H36NO10P
IUPAC name(2S)-2-amino-3-[[(2R)-3-[3-(2-heptoxyphenyl)propanoyloxy]-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Molecular weight505.501
Hydrogen bond acceptor11
Hydrogen bond donor4
XlogP-0.6
SynonymsBDBM50096438
Inchi KeyPEIJVSZKYNNUKV-MOPGFXCFSA-N
Inchi IDInChI=1S/C22H36NO10P/c1-2-3-4-5-8-13-30-20-10-7-6-9-17(20)11-12-21(25)31-14-18(24)15-32-34(28,29)33-16-19(23)22(26)27/h6-7,9-10,18-19,24H,2-5,8,11-16,23H2,1H3,(H,26,27)(H,28,29)/t18-,19+/m1/s1
PubChem CID122177513
ChEMBLCHEMBL3577167
IUPHARN/A
BindingDB50096438
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC50<1000.0 nMPMID25970039BindingDB,ChEMBL

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