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GPCR

NameCholecystokinin receptor type A
SpeciesHomo sapiens (Human)
GeneCCKAR
Synonymcholecystokinin-1 receptor
CCK1-R
CCK1 receptor
CCK-AR
CCK-A receptor
[ Show all ]
DiseasePancreatic cancer; Obesity
Eating disorder
Pancreatic disease
Gallstone prophylaxis; Obesity
Gastrointestinal disease
[ Show all ]
Length428
Amino acid sequenceMDVVDSLLVNGSNITPPCELGLENETLFCLDQPRPSKEWQPAVQILLYSLIFLLSVLGNTLVITVLIRNKRMRTVTNIFLLSLAVSDLMLCLFCMPFNLIPNLLKDFIFGSAVCKTTTYFMGTSVSVSTFNLVAISLERYGAICKPLQSRVWQTKSHALKVIAATWCLSFTIMTPYPIYSNLVPFTKNNNQTANMCRFLLPNDVMQQSWHTFLLLILFLIPGIVMMVAYGLISLELYQGIKFEASQKKSAKERKPSTTSSGKYEDSDGCYLQKTRPPRKLELRQLSTGSSSRANRIRSNSSAANLMAKKRVIRMLIVIVVLFFLCWMPIFSANAWRAYDTASAERRLSGTPISFILLLSYTSSCVNPIIYCFMNKRFRLGFMATFPCCPNPGPPGARGEVGEEEEGGTTGASLSRFSYSHMSASVPPQ
UniProtP32238
Protein Data Bank1d6g
GPCR-HGmod modelP32238
3D structure modelThis structure is from PDB ID 1d6g.
BioLiPBL0007611
Therapeutic Target DatabaseT28330
ChEMBLCHEMBL1901
IUPHAR76
DrugBankBE0000402

Ligand

NameCHEMBL571832
Molecular formulaC22H19ClN4O3S2
IUPAC name2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-chloro-N-methyl-N-(2-phenylethyl)benzamide
Molecular weight486.989
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.9
SynonymsBDBM50415070
Inchi KeyBYJYBGAWEJWAIH-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H19ClN4O3S2/c1-27(13-12-15-6-3-2-4-7-15)22(28)17-11-10-16(23)14-19(17)26-32(29,30)20-9-5-8-18-21(20)25-31-24-18/h2-11,14,26H,12-13H2,1H3
PubChem CID45486997
ChEMBLCHEMBL571832
IUPHARN/A
BindingDB50415070
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki3981.07 nMPMID19811913BindingDB,ChEMBL

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