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

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX 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 NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus 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

NameCHEMBL3125715
Molecular formulaC22H29N5O2
IUPAC name(1R,2R,3S,4R,5S)-4-[6-(cyclopentylamino)-2-hex-1-ynylpurin-9-yl]bicyclo[3.1.0]hexane-2,3-diol
Molecular weight395.507
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.1
SynonymsN/A
Inchi KeyAFXYKJQZGOIMFM-VNEALKQTSA-N
Inchi IDInChI=1S/C22H29N5O2/c1-2-3-4-5-10-16-25-21(24-13-8-6-7-9-13)17-22(26-16)27(12-23-17)18-14-11-15(14)19(28)20(18)29/h12-15,18-20,28-29H,2-4,6-9,11H2,1H3,(H,24,25,26)/t14-,15+,18+,19+,20-/m0/s1
PubChem CID76332686
ChEMBLCHEMBL3125715
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
Ki58.0 nMPMID24456490ChEMBL

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