Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

TM-score TM-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 WDL-RF ATPbind DockRMSD DeepMSA

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

GPCR

NameAdenosine receptor A3
SpeciesRattus norvegicus (Rat)
GeneAdora3
SynonymARA3
Adenosine receptor A3
A3 receptor
TGPCR1
A3AR
DiseaseN/A for non-human GPCRs
Length320
Amino acid sequenceMKANNTTTSALWLQITYITMEAAIGLCAVVGNMLVIWVVKLNRTLRTTTFYFIVSLALADIAVGVLVIPLAIAVSLEVQMHFYACLFMSCVLLVFTHASIMSLLAIAVDRYLRVKLTVRYRTVTTQRRIWLFLGLCWLVSFLVGLTPMFGWNRKVTLELSQNSSTLSCHFRSVVGLDYMVFFSFITWILIPLVVMCIIYLDIFYIIRNKLSQNLTGFRETRAFYGREFKTAKSLFLVLFLFALCWLPLSIINFVSYFNVKIPEIAMCLGILLSHANSMMNPIVYACKIKKFKETYFVILRACRLCQTSDSLDSNLEQTTE
UniProtP28647
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3360
IUPHAR21
DrugBankN/A

Ligand

NameCHEMBL2113685
Molecular formulaC16H18IN5O2S
IUPAC name(2S)-3-[6-[(3-iodophenyl)methylamino]-2-methylsulfanylpurin-9-yl]propane-1,2-diol
Molecular weight471.317
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP2.0
SynonymsBDBM50453666
Inchi KeyAQADPXZMOSNTQN-LBPRGKRZSA-N
Inchi IDInChI=1S/C16H18IN5O2S/c1-25-16-20-14(18-6-10-3-2-4-11(17)5-10)13-15(21-16)22(9-19-13)7-12(24)8-23/h2-5,9,12,23-24H,6-8H2,1H3,(H,18,20,21)/t12-/m0/s1
PubChem CID71459963
ChEMBLCHEMBL2113685
IUPHARN/A
BindingDB50453666
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Effect0.0 -PMID7752196ChEMBL
Inhibition5.5 %PMID7752196ChEMBL
Inhibition7.3 %PMID7752196ChEMBL
Ki8590.0 nMPMID7752196BindingDB,ChEMBL
Ratio4.6 -PMID7752196ChEMBL

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