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GPCR

NameAdenosine receptor A1
SpeciesCavia porcellus (Guinea pig)
GeneADORA1
SynonymN/A
DiseaseN/A for non-human GPCRs
Length326
Amino acid sequenceMPHSVSAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIASLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTPRRAAVAIAGCWILSLVVGLTPMFGWNNLSKIEMAWAANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLSKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCHKPTILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPEPPIDEDLPEEKVDD
UniProtP47745
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2304404
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL368276
Molecular formulaC24H24N4O2
IUPAC name8-(9H-fluoren-9-yl)-1,3-dipropyl-7H-purine-2,6-dione
Molecular weight400.482
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.4
Synonyms8-(9H-Fluoren-9-yl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione; Hydrate
1,3-Dipropyl-8-(9H-fluoren-9-yl)xanthine
BDBM50005377
Inchi KeyCUVZVYMRAXTVSQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H24N4O2/c1-3-13-27-22-20(23(29)28(14-4-2)24(27)30)25-21(26-22)19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,19H,3-4,13-14H2,1-2H3,(H,25,26)
PubChem CID14795495
ChEMBLCHEMBL368276
IUPHARN/A
BindingDB50005377
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki2900.0 nMPMID1548682BindingDB,ChEMBL

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