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GPCR

NameAdenosine receptor A1
SpeciesHomo sapiens (Human)
GeneADORA1
SynonymRDC7
A1 receptor
A1-AR
A1R
adenosine receptor A1
DiseaseCardiac arrhythmias
Hypertension
Cardiac disease
Cognitive disorders
Diabetes
[ Show all ]
Length326
Amino acid sequenceMPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD
UniProtP30542
Protein Data Bank6d9h, 5n2s
GPCR-HGmod modelP30542
3D structure modelThis structure is from PDB ID 6d9h.
BioLiPBL0385576, BL0417675
Therapeutic Target DatabaseT88714, T92072
ChEMBLCHEMBL226
IUPHAR18
DrugBankBE0000013

Ligand

NameCHEMBL63063
Molecular formulaC22H26N2O2
IUPAC name5,6-dimethoxy-11-methyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15,17,19-heptaene
Molecular weight350.462
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50088340
2,3-dimethoxy-7-methyl-6,7,8,9,14,15-hexahydro-5H-benzo[7,8]azecino[5,4-b]indole
Inchi KeyILLDXVCWSLGVJR-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H26N2O2/c1-24-10-8-15-13-21(25-2)22(26-3)14-16(15)12-20-18(9-11-24)17-6-4-5-7-19(17)23-20/h4-7,13-14,23H,8-12H2,1-3H3
PubChem CID10807793
ChEMBLCHEMBL63063
IUPHARN/A
BindingDB50088340
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity3.0 %PMID10821720ChEMBL

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