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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

NameCHEMBL104999
Molecular formulaC15H13N3O
IUPAC name2-(4-aminophenyl)-7-methyl-1H-1,8-naphthyridin-4-one
Molecular weight251.289
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.2
Synonyms2-(4-aminophenyl)-7-methyl-1,8-naphthyridin-4-ol
2-(4-Amino-phenyl)-7-methyl-[1,8]naphthyridin-4-ol
BDBM50147875
ZINC13579568
Inchi KeyCZXAHGMAYCNGTM-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H13N3O/c1-9-2-7-12-14(19)8-13(18-15(12)17-9)10-3-5-11(16)6-4-10/h2-8H,16H2,1H3,(H,17,18,19)
PubChem CID11311283
ChEMBLCHEMBL104999
IUPHARN/A
BindingDB50147875
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki6.8 nMPMID15163184BindingDB,ChEMBL

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