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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

NameCHEMBL275421
Molecular formulaC22H23N5O
IUPAC name4-(cyclohexylamino)-2-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
Molecular weight373.46
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.3
Synonyms4-(cyclohexylamino)-2-m-tolyl-[1,2,4]triazolo[4,3-a]quinoxalin-1(2H)-one
BDBM50086130
4-Cyclohexylamino-2-m-tolyl-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
2-(3-Methylphenyl)-4-(cyclohexylamino)[1,2,4]triazolo[4,3-a]quinoxaline-1(2H)-one
Inchi KeyAMXKVGAJMUQALJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H23N5O/c1-15-8-7-11-17(14-15)27-22(28)26-19-13-6-5-12-18(19)24-20(21(26)25-27)23-16-9-3-2-4-10-16/h5-8,11-14,16H,2-4,9-10H2,1H3,(H,23,24)
PubChem CID10667072
ChEMBLCHEMBL275421
IUPHARN/A
BindingDB50086130
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki4.2 nMPMID10737748BindingDB,ChEMBL

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