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GPCR

NameAdenosine receptor A1
SpeciesRattus norvegicus (Rat)
GeneAdora1
SynonymA1 receptor
A1-AR
A1R
adenosine receptor A1
RDC7
DiseaseN/A for non-human GPCRs
Length326
Amino acid sequenceMPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTQRRAAVAIAGCWILSLVVGLTPMFGWNNLSVVEQDWRANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCQPKPPIDEDLPEEKAED
UniProtP25099
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL318
IUPHAR18
DrugBankN/A

Ligand

NameCHEMBL72287
Molecular formulaC22H16N2O
IUPAC name1-phenyl-2-(3-pyridin-2-ylisoquinolin-1-yl)ethanone
Molecular weight324.383
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.0
Synonyms1-Phenyl-2-(3-pyridin-2-yl-isoquinolin-1-yl)-ethanone
BDBM50067079
alpha-[3-(2-Pyridinyl)-1-isoquinolinyl]acetophenone
Inchi KeyAHTFEEDQBLMEDO-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H16N2O/c25-22(16-8-2-1-3-9-16)15-20-18-11-5-4-10-17(18)14-21(24-20)19-12-6-7-13-23-19/h1-14H,15H2
PubChem CID10639706
ChEMBLCHEMBL72287
IUPHARN/A
BindingDB50067079
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki240.0 nMPMID10841801BindingDB,ChEMBL
Ki240000.0 nMPMID9767637, PMID9767636BindingDB,ChEMBL

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