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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

NameCHEMBL320283
Molecular formulaC24H18N4O
IUPAC name2-phenyl-N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide
Molecular weight378.435
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.6
Synonyms2-Phenyl-N-(2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-yl)-acetamide
BDBM50091136
N-(2-Phenyl-2H-pyrazolo[3,4-c]quinoline-4-yl)-2-phenylacetamide
2-phenyl-N-(2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-yl)acetamide
Inchi KeyCDNARFKYCLHRDR-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H18N4O/c29-22(15-17-9-3-1-4-10-17)26-24-23-20(19-13-7-8-14-21(19)25-24)16-28(27-23)18-11-5-2-6-12-18/h1-14,16H,15H2,(H,25,26,29)
PubChem CID10762204
ChEMBLCHEMBL320283
IUPHARN/A
BindingDB50091136
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki107.0 nMPMID10956220BindingDB,ChEMBL

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