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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

NameCHEMBL214836
Molecular formulaC18H16Br2N4O3S2
IUPAC nameN-[4,5-dibromo-2-(piperidine-1-carbonyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide
Molecular weight560.279
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.6
SynonymsBDBM50196215
SCHEMBL13792884
1-[2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-4,5-dibromobenzoyl]-piperidine
Inchi KeyDHIFLLPNXOMNGD-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H16Br2N4O3S2/c19-12-9-11(18(25)24-7-2-1-3-8-24)15(10-13(12)20)23-29(26,27)16-6-4-5-14-17(16)22-28-21-14/h4-6,9-10,23H,1-3,7-8H2
PubChem CID11786290
ChEMBLCHEMBL214836
IUPHARN/A
BindingDB50196215
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID17034143BindingDB,ChEMBL
Ki>10000.0 nMPMID17034143ChEMBL

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