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GPCR

NameAdenosine receptor A1
SpeciesOryctolagus cuniculus (Rabbit)
GeneADORA1
SynonymN/A
DiseaseN/A for non-human GPCRs
Length328
Amino acid sequenceMPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPETYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKAVVTPRRAAVAIAGCWILSLVVGLTPMFGWNNLREVQRAWAANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRRQLSKKASASSGDPHKYYGKELKIAKSLALILFLFALSWLPLHILNCVTLFCPSCQKPSILVYTAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCRPAPAGDGDEDLPEEKPND
UniProtP34970
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3947
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL3679388
Molecular formulaC23H29N5O6
IUPAC name(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-2-[(3-methoxyphenyl)methoxy]cyclopentyl]amino]purin-9-yl]oxolane-3,4-diol
Molecular weight471.514
Hydrogen bond acceptor10
Hydrogen bond donor4
XlogP1.9
SynonymsBDBM99209
SCHEMBL12193036
US8501708, 33
Inchi KeyDKXQAUQBUSRNHS-FJPLYAHASA-N
Inchi IDInChI=1S/C23H29N5O6/c1-32-14-5-2-4-13(8-14)10-33-16-7-3-6-15(16)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(9-29)34-23/h2,4-5,8,11-12,15-17,19-20,23,29-31H,3,6-7,9-10H2,1H3,(H,24,25,27)/t15?,16-,17-,19-,20-,23-/m1/s1
PubChem CID58455957
ChEMBLCHEMBL3679388
IUPHARN/A
BindingDB99209
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki5.59 nM, NoneBindingDB,ChEMBL

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