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GPCR

NameAdenosine receptor A1
SpeciesBos taurus (Bovine)
GeneADORA1
SynonymN/A
DiseaseN/A for non-human GPCRs
Length326
Amino acid sequenceMPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPRTYFHTCLKVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTPRRAVVAITGCWILSFVVGLTPMFGWNNLSAVERDWLANGSVGEPVIECQFEKVISMEYMVYFNFFVWVLPPLLLMVLIYMEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHMPRILIYIAIFLSHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPVDEDAPAERPDD
UniProtP28190
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4975
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL158598
Molecular formulaC18H15ClN6
IUPAC name3-[(2-chlorophenyl)methyl]-N-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-amine
Molecular weight350.81
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.2
SynonymsBDBM50063189
[3-(2-Chloro-benzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]-p-tolyl-amine
Inchi KeyBURNZYZOLVHFAX-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H15ClN6/c1-12-6-8-14(9-7-12)22-17-16-18(21-11-20-17)25(24-23-16)10-13-4-2-3-5-15(13)19/h2-9,11H,10H2,1H3,(H,20,21,22)
PubChem CID10807822
ChEMBLCHEMBL158598
IUPHARN/A
BindingDB50063189
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki119.0 nMPMID9513594BindingDB,ChEMBL

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