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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

NameCHEMBL95384
Molecular formulaC15H11FN2O
IUPAC name2-(2-fluorophenyl)-7-methyl-1H-1,8-naphthyridin-4-one
Molecular weight254.264
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.0
Synonyms2-(2-Fluorophenyl)-7-methyl-1,8-naphthyridine-4-ol
2-(2-Fluoro-phenyl)-7-methyl-[1,8]naphthyridin-4-ol
BDBM50090690
ZINC13579519
Inchi KeyAXHXSGOIYWBQTM-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H11FN2O/c1-9-6-7-11-14(19)8-13(18-15(11)17-9)10-4-2-3-5-12(10)16/h2-8H,1H3,(H,17,18,19)
PubChem CID10538858
ChEMBLCHEMBL95384
IUPHARN/A
BindingDB50090690
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki11.0 nMPMID10956189, PMID15163184BindingDB,ChEMBL

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