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

Name2-oxoglutarate receptor 1
SpeciesRattus norvegicus (Rat)
GeneOxgr1
SynonymP2Y purinoceptor 15
P2RY15
oxoglutarate receptor
GPR99
GPR80
[ Show all ]
DiseaseN/A for non-human GPCRs
Length337
Amino acid sequenceMIETLDSPANDSDFLDYITALENCTDEQISFKMQYLPVIYSIIFLVGFPGNTVAISIYVFKMRPWKSSTIIMLNLALTDLLYLTSLPFLIHYYASGENWIFGDFMCKFIRFGFHFNLYSSILFLTCFSLFRYIVIIHPMSCFSIQKTRWAVVACAGVWVISLVAVMPMTFLITSTTRTNRSACLDLTSSDDLTTIKWYNLILTATTFCLPLLIVTLCYTTIISTLTHGPRTHSCFKQKARRLTILLLLVFYVCFLPFHILRVIRIESRLLSISCSIESHIHEAYIVSRPLAALNTFGNLLLYVVVSNNFQQAFCSAVRCKAIGDLEQAKKDSCSNNP
UniProtQ6Y1R5
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2325
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL608893
Molecular formulaC18H26N6O4
IUPAC name(2S,3S,4R)-5-(6-aminopurin-9-yl)-N-cyclooctyl-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight390.444
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP1.8
SynonymsBDBM50369941
Inchi KeyZIHYGOOJSWDFKE-CDJKEZFESA-N
Inchi IDInChI=1S/C18H26N6O4/c19-15-11-16(21-8-20-15)24(9-22-11)18-13(26)12(25)14(28-18)17(27)23-10-6-4-2-1-3-5-7-10/h8-10,12-14,18,25-26H,1-7H2,(H,23,27)(H2,19,20,21)/t12-,13+,14-,18?/m0/s1
PubChem CID46875336
ChEMBLCHEMBL608893
IUPHARN/A
BindingDB50369941
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki23.0 nMPMID11170630BindingDB,ChEMBL

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