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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

NameCHEMBL380914
Molecular formulaC19H19Cl2N7O5
IUPAC name(2S,3S,4R,5R)-5-[2-chloro-6-[(3-chlorophenyl)carbamoylamino]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight496.305
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP1.3
SynonymsBDBM50179041
N-[(3-Chlorophenyl)carbamoyl]-2-chloro-5'-(ethylamino)-5'-oxo-5'-deoxyadenosine
1-(2-chloro-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-6-yl)-3-(3-chlorophenyl)urea
Inchi KeyAKCBRQLOMNHFCW-PFHKOEEOSA-N
Inchi IDInChI=1S/C19H19Cl2N7O5/c1-2-22-16(31)13-11(29)12(30)17(33-13)28-7-23-10-14(25-18(21)27-15(10)28)26-19(32)24-9-5-3-4-8(20)6-9/h3-7,11-13,17,29-30H,2H2,1H3,(H,22,31)(H2,24,25,26,27,32)/t11-,12+,13-,17+/m0/s1
PubChem CID10743845
ChEMBLCHEMBL380914
IUPHARN/A
BindingDB50179041
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki90.0 nMPMID9703463, PMID15863334BindingDB,ChEMBL

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