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GPCR

NameAdenosine receptor A1
SpeciesGallus gallus (Chicken)
GeneADORA1
SynonymN/A
DiseaseN/A for non-human GPCRs
Length324
Amino acid sequenceMAQSVTAFQAAYISIEVLIALVSVPGNILVIWAVKMNQALRDATFCFIVSLAVADVAVGALVIPLAIIINIGPQTEFYSCLMMACPVLILTESSILALLAIAVDRYLRVKIPVRYKSVVTPRRAAVAIACCWIVSFLVGLTPMFGWNNLNKVLGTRDLNVSHSEFVIKCQFETVISMEYMVYFNFFVWVLPPLLLMLLIYLEVFNLIRTQLNKKVSSSSNDPQKYYGKELKIAKSLALVLFLFALSWLPLHILNCITLFCPSCKTPHILTYIAIFLTHGNSAMNPIVYAFRIKKFRTAFLQIWNQYFCCKTNKSSSSSTAETVN
UniProtP49892
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2114
IUPHARN/A
DrugBankN/A

Ligand

NameBRN 0591237
Molecular formulaC17H18N6O4
IUPAC name(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-benzyl-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight370.369
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP0.4
Synonyms(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-benzyl-3,4-dihydroxyoxolane-2-carboxamide
1-(6-Amino-9H-purin-9-yl)-N-benzyl-1-deoxy-beta-D-ribofuranuronamide
1-(6-Amino-9H-purin-9-yl)-N-benzyl-1-deoxyribofuranuronamide
57872-79-4
AC1MII33
[ Show all ]
Inchi KeyVDAITUUOENAMKK-PFHKOEEOSA-N
Inchi IDInChI=1S/C17H18N6O4/c18-14-10-15(21-7-20-14)23(8-22-10)17-12(25)11(24)13(27-17)16(26)19-6-9-4-2-1-3-5-9/h1-5,7-8,11-13,17,24-25H,6H2,(H,19,26)(H2,18,20,21)/t11-,12+,13-,17+/m0/s1
PubChem CID3044932
ChEMBLN/A
IUPHARN/A
BindingDB85777
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki6.83 nMPMID11191840BindingDB

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