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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

NameCHEMBL254065
Molecular formulaC20H29ClN6O5
IUPAC name[(2R,3R,4R,5R)-5-[2-chloro-6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methyl N-propylcarbamate
Molecular weight468.939
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP1.9
Synonyms2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-N-propylcarbamoyl-beta-D-ribofuranosyl)adenine
BDBM50224765
Inchi KeyDQBMXDWVUYSFGY-DPBUJNAFSA-N
Inchi IDInChI=1S/C20H29ClN6O5/c1-3-8-22-19(29)31-9-12-14(28)20(2,30)17(32-12)27-10-23-13-15(24-11-6-4-5-7-11)25-18(21)26-16(13)27/h10-12,14,17,28,30H,3-9H2,1-2H3,(H,22,29)(H,24,25,26)/t12-,14-,17-,20-/m1/s1
PubChem CID44447522
ChEMBLCHEMBL254065
IUPHARN/A
BindingDB50224765
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki513.0 nMPMID17933541BindingDB
Ki8700.0 nMPMID17933541BindingDB

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