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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

NameCHEMBL215111
Molecular formulaC24H22N4O3S2
IUPAC nameN-[5-phenyl-2-(piperidine-1-carbonyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide
Molecular weight478.585
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.8
SynonymsSCHEMBL13792632
1-[2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-4-phenylbenzoyl]-piperidine
BDBM50196154
Inchi KeyFEYADASVMBHYMC-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H22N4O3S2/c29-24(28-14-5-2-6-15-28)19-13-12-18(17-8-3-1-4-9-17)16-21(19)27-33(30,31)22-11-7-10-20-23(22)26-32-25-20/h1,3-4,7-13,16,27H,2,5-6,14-15H2
PubChem CID16090788
ChEMBLCHEMBL215111
IUPHARN/A
BindingDB50196154
DrugBankN/A

Structure

SDF download

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

Experimental Data

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

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