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GPCR

NameAdenosine receptor A1
SpeciesBos taurus (Bovine)
GeneADORA1
SynonymN/A
DiseaseN/A for non-human GPCRs
Length326
Amino acid sequenceMPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPRTYFHTCLKVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTPRRAVVAITGCWILSFVVGLTPMFGWNNLSAVERDWLANGSVGEPVIECQFEKVISMEYMVYFNFFVWVLPPLLLMVLIYMEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHMPRILIYIAIFLSHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPVDEDAPAERPDD
UniProtP28190
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4975
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL224097
Molecular formulaC25H24ClFN4O2
IUPAC nameethyl 1-(2-chloro-2-phenylethyl)-4-[2-(3-fluorophenyl)ethylamino]pyrazolo[3,4-b]pyridine-5-carboxylate
Molecular weight466.941
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.7
SynonymsBDBM50176828
ethyl 4-(3-fluorophenethylamino)-1-(2-chloro-2-phenylethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
Inchi KeyANTKSEOWKXCTTM-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H24ClFN4O2/c1-2-33-25(32)21-14-29-24-20(23(21)28-12-11-17-7-6-10-19(27)13-17)15-30-31(24)16-22(26)18-8-4-3-5-9-18/h3-10,13-15,22H,2,11-12,16H2,1H3,(H,28,29)
PubChem CID11619688
ChEMBLCHEMBL224097
IUPHARN/A
BindingDB50176828
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki33.0 nMPMID16279775BindingDB,ChEMBL

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