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GPCR

NameAdenosine receptor A1
SpeciesRattus norvegicus (Rat)
GeneAdora1
SynonymA1 receptor
A1-AR
A1R
adenosine receptor A1
RDC7
DiseaseN/A for non-human GPCRs
Length326
Amino acid sequenceMPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTQRRAAVAIAGCWILSLVVGLTPMFGWNNLSVVEQDWRANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCQPKPPIDEDLPEEKAED
UniProtP25099
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL318
IUPHAR18
DrugBankN/A

Ligand

NameCHEMBL319356
Molecular formulaC9H12N4
IUPAC name2,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Molecular weight176.223
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP1.5
Synonyms7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 2,5,6-trimethyl-
MolPort-013-273-589
111601-38-8
AKOS022473680
4-Amino-2,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine
[ Show all ]
Inchi KeyABYSHPMNLZCWGY-UHFFFAOYSA-N
Inchi IDInChI=1S/C9H12N4/c1-4-5(2)11-9-7(4)8(10)12-6(3)13-9/h1-3H3,(H3,10,11,12,13)
PubChem CID13803176
ChEMBLCHEMBL319356
IUPHARN/A
BindingDB50014283
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki88000.0 nMPMID2213835BindingDB,ChEMBL

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