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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

NameCHEMBL2017692
Molecular formulaC38H34N6O2
IUPAC name6-[2-(3-benzylpyrrolidin-1-yl)-2-oxoethyl]-4-(1H-indol-3-ylmethyl)-1-phenyl-4H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepin-5-one
Molecular weight606.73
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.8
SynonymsBDBM50380731
Inchi KeyADXYLZDRWMSWLX-UHFFFAOYSA-N
Inchi IDInChI=1S/C38H34N6O2/c45-35(42-20-19-27(24-42)21-26-11-3-1-4-12-26)25-43-33-17-9-10-18-34(33)44-36(28-13-5-2-6-14-28)40-41-37(44)31(38(43)46)22-29-23-39-32-16-8-7-15-30(29)32/h1-18,23,27,31,39H,19-22,24-25H2
PubChem CID70683295
ChEMBLCHEMBL2017692
IUPHARN/A
BindingDB50380731
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
EC501310.0 nMPMID22424974BindingDB,ChEMBL
Efficacy85.0 %PMID22424974ChEMBL
IC5068.6 nMPMID22424974BindingDB,ChEMBL

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