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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

NameCHEMBL94538
Molecular formulaC15H14N4
IUPAC name(7-methyl-2-phenyl-1,8-naphthyridin-4-yl)hydrazine
Molecular weight250.305
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.8
Synonyms1-(7-methyl-2-phenyl-1,8-naphthyridin-4-yl)hydrazine
(7-Methyl-2-phenyl-[1,8]naphthyridin-4-yl)-hydrazine
BDBM50090698
Inchi KeyCWTSAOIACWWXPW-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H14N4/c1-10-7-8-12-14(19-16)9-13(18-15(12)17-10)11-5-3-2-4-6-11/h2-9H,16H2,1H3,(H,17,18,19)
PubChem CID44327984
ChEMBLCHEMBL94538
IUPHARN/A
BindingDB50090698
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki100.0 nMPMID10956189, PMID15163184BindingDB,ChEMBL

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