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GPCR

NameCholecystokinin receptor type A
SpeciesRattus norvegicus (Rat)
GeneCckar
SynonymCCK-A receptor
CCK-AR
CCK1 receptor
CCK1-R
cholecystokinin receptor type A
[ Show all ]
DiseaseN/A for non-human GPCRs
Length444
Amino acid sequenceMSHSPARQHLVESSRMDVVDSLLMNGSNITPPCELGLENETLFCLDQPQPSKEWQSALQILLYSIIFLLSVLGNTLVITVLIRNKRMRTVTNIFLLSLAVSDLMLCLFCMPFNLIPNLLKDFIFGSAVCKTTTYFMGTSVSVSTFNLVAISLERYGAICRPLQSRVWQTKSHALKVIAATWCLSFTIMTPYPIYSNLVPFTKNNNQTANMCRFLLPSDAMQQSWQTFLLLILFLLPGIVMVVAYGLISLELYQGIKFDASQKKSAKEKKPSTGSSTRYEDSDGCYLQKSRPPRKLELQQLSSGSGGSRLNRIRSSSSAANLIAKKRVIRMLIVIVVLFFLCWMPIFSANAWRAYDTVSAEKHLSGTPISFILLLSYTSSCVNPIIYCFMNKRFRLGFMATFPCCPNPGPPGVRGEVGEEEDGRTIRALLSRYSYSHMSTSAPPP
UniProtP30551
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2871
IUPHAR76
DrugBankN/A

Ligand

NameCHEMBL53234
Molecular formulaC23H17ClN6O
IUPAC name1-(4-chlorophenyl)-3-(6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl)urea
Molecular weight428.88
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.7
Synonyms1-(4-Chloro-phenyl)-3-(6-phenyl-4H-2,3,5,10b-tetraaza-benzo[e]azulen-4-yl)-urea
BDBM50023150
N-(4-Chlorophenyl)-N'-(6-phenyl-4H-[1,2,4]triazolo-[4,3-a][1,4]benzodiazepin-4-yl)urea
SCHEMBL9470437
BCHJQEZRVVANRY-UHFFFAOYSA-N
Inchi KeyBCHJQEZRVVANRY-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H17ClN6O/c24-16-10-12-17(13-11-16)26-23(31)28-21-22-29-25-14-30(22)19-9-5-4-8-18(19)20(27-21)15-6-2-1-3-7-15/h1-14,21H,(H2,26,28,31)
PubChem CID13953715
ChEMBLCHEMBL53234
IUPHARN/A
BindingDB50023150
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50120.0 nMPMID3336017BindingDB,ChEMBL

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