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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

NameCHEMBL286479
Molecular formulaC17H12BrN3O2
IUPAC name1-(3-aminophenyl)-6-bromo-3-methylchromeno[2,3-c]pyrazol-4-one
Molecular weight370.206
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.7
SynonymsBDBM50034373
1-(3-Amino-phenyl)-6-bromo-3-methyl-1H-chromeno[2,3-c]pyrazol-4-one
Inchi KeyAJNVTICMXDXXMW-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H12BrN3O2/c1-9-15-16(22)13-7-10(18)5-6-14(13)23-17(15)21(20-9)12-4-2-3-11(19)8-12/h2-8H,19H2,1H3
PubChem CID10090517
ChEMBLCHEMBL286479
IUPHARN/A
BindingDB50034373
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki780.0 nMPMID7731018ChEMBL
Ki780.0 nMPMID7731018BindingDB

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