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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

NameCHEMBL3679382
Molecular formulaC23H28ClN5O5
IUPAC name(3R,4S,5R)-2-[2-chloro-6-[[(2S)-2-[(3-methylphenyl)methoxy]cyclopentyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight489.957
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP2.4
SynonymsUS8501708, 23
BDBM99203
SCHEMBL12193012
Inchi KeyNYDFVRTWEYFDIK-XCUHZOMWSA-N
Inchi IDInChI=1S/C23H28ClN5O5/c1-12-4-2-5-13(8-12)10-33-15-7-3-6-14(15)26-20-17-21(28-23(24)27-20)29(11-25-17)22-19(32)18(31)16(9-30)34-22/h2,4-5,8,11,14-16,18-19,22,30-32H,3,6-7,9-10H2,1H3,(H,26,27,28)/t14?,15-,16+,18+,19+,22?/m0/s1
PubChem CID58455976
ChEMBLCHEMBL3679382
IUPHARN/A
BindingDB99203
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki12.3 nM, NoneBindingDB,ChEMBL

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