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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

NameCHEMBL19533
Molecular formulaC16H12N4
IUPAC nameN-phenyl-3H-imidazo[4,5-c]quinolin-4-amine
Molecular weight260.3
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.6
SynonymsZINC13821052
(1H-Imidazo[4,5-c]quinolin-4-yl)-phenyl-amine;HCl
BDBM50011598
4-Phenylamino-1H-imidazo[4,5-c]quinoline
Inchi KeyBWQWMNKFCIJEBY-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H12N4/c1-2-6-11(7-3-1)19-16-15-14(17-10-18-15)12-8-4-5-9-13(12)20-16/h1-10H,(H,17,18)(H,19,20)
PubChem CID14896611
ChEMBLN/A
IUPHARN/A
BindingDB50011598
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki490.0 nMPMID2002461BindingDB

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