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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

NameN6-Phenyladenosine
Molecular formulaC16H17N5O4
IUPAC name(2R,3R,4S,5R)-2-(6-anilinopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight343.343
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP1.2
Synonyms(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-phenylazanylpurin-9-yl)oxolane-3,4-diol
CHEBI:112766
MLS002153269
PDSP1_001026
AC1L2QTP
[ Show all ]
Inchi KeyQVUUUSJUORLECR-XNIJJKJLSA-N
Inchi IDInChI=1S/C16H17N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,22-24H,6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1
PubChem CID101430
ChEMBLCHEMBL262083
IUPHARN/A
BindingDB42467
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC503.3 nMPMID1542091BindingDB
IC503.311 nMPMID1542091ChEMBL
IC506.5 nMPMID2374150BindingDB,ChEMBL
Ki3.0 nMPMID2374150, PMID2258897BindingDB,ChEMBL
Ki3.2 nMPMID2993623, PMID2258897BindingDB,ChEMBL
Ki3.5 nMPMID1433217ChEMBL
Ki4.0 nMPMID1433217BindingDB
Ki4.6 nMPMID2374150, PMID1738138, PMID2888894BindingDB,ChEMBL
Ki4.62 nMPMID2374150ChEMBL
Ki5.0 nMPMID1738138BindingDB
Ki16.0 nMPMID1766003BindingDB,ChEMBL
Ratio21.0 -PMID1433217ChEMBL

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