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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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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

Name2-methyl-7-phenyl-1,8-naphthyridine
Molecular formulaC15H12N2
IUPAC name2-methyl-7-phenyl-1,8-naphthyridine
Molecular weight220.275
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP3.5
SynonymsD0PU1R
J3.516.575D
7-Methyl-2-phenyl-1,8-naphthyridine
CHEMBL97344
2-Methyl-7-phenyl-[1,8]naphthyridine
[ Show all ]
Inchi KeyBGLSJWRWFABGNC-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H12N2/c1-11-7-8-13-9-10-14(17-15(13)16-11)12-5-3-2-4-6-12/h2-10H,1H3
PubChem CID12431922
ChEMBLCHEMBL97344
IUPHARN/A
BindingDB50090686
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki6900.0 nMPMID10956189, PMID15163184BindingDB,ChEMBL

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