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GPCR

NameAdenosine receptor A1
SpeciesCavia porcellus (Guinea pig)
GeneADORA1
SynonymN/A
DiseaseN/A for non-human GPCRs
Length326
Amino acid sequenceMPHSVSAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIASLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTPRRAAVAIAGCWILSLVVGLTPMFGWNNLSKIEMAWAANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLSKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCHKPTILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPEPPIDEDLPEEKVDD
UniProtP47745
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2304404
IUPHARN/A
DrugBankN/A

Ligand

NameCID 46876622
Molecular formulaC18H21N7O4
IUPAC name(3R,4S,5R)-2-[6-amino-2-[(2E)-2-(2-phenylethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight399.411
Hydrogen bond acceptor10
Hydrogen bond donor5
XlogP0.8
SynonymsN/A
Inchi KeyAVVYXDGJFVGQKA-ZECVXGKYSA-N
Inchi IDInChI=1S/C18H21N7O4/c19-15-12-16(25(9-20-12)17-14(28)13(27)11(8-26)29-17)23-18(22-15)24-21-7-6-10-4-2-1-3-5-10/h1-5,7,9,11,13-14,17,26-28H,6,8H2,(H3,19,22,23,24)/b21-7+/t11-,13-,14-,17?/m1/s1
PubChem CID46876622
ChEMBLCHEMBL607592
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5083176.4 nMPMID1469688ChEMBL

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