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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

NameCHEMBL431370
Molecular formulaC11H12N4
IUPAC name3,5,8-trimethyl-1,6-dihydropyrazolo[4,3-f]indazole
Molecular weight200.245
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP2.0
Synonyms115705-37-8
BDBM50022734
3,5,8-Trimethyl-1,7-dihydro-benzo[1,2-c;5,4-c'']dipyrazole
Benzo[1,2-c:5,4-c']dipyrazole, 1,7-dihydro-3,5,8-trimethyl-
Inchi KeyAIWFKMLZLPPKGA-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H12N4/c1-5-10-8(6(2)12-14-10)4-9-7(3)13-15-11(5)9/h4H,1-3H3,(H,12,14)(H,13,15)
PubChem CID14185402
ChEMBLCHEMBL431370
IUPHARN/A
BindingDB50022734
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1200.0 nMPMID3172141BindingDB,ChEMBL

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