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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

NameCHEMBL570521
Molecular formulaC21H15Cl3N4O3S2
IUPAC name2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-chloro-N-[2-(3,4-dichlorophenyl)ethyl]benzamide
Molecular weight541.846
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP6.0
SynonymsBDBM50415061
Inchi KeyAFKAKAHYZGKTTI-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H15Cl3N4O3S2/c22-13-5-6-14(21(29)25-9-8-12-4-7-15(23)16(24)10-12)18(11-13)28-33(30,31)19-3-1-2-17-20(19)27-32-26-17/h1-7,10-11,28H,8-9H2,(H,25,29)
PubChem CID45487003
ChEMBLCHEMBL570521
IUPHARN/A
BindingDB50415061
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki79.43 nMPMID19811913BindingDB,ChEMBL

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