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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

NameCHEMBL1269264
Molecular formulaC36H32N6O2
IUPAC nameN-benzyl-2-[(4R)-4-(1H-indol-3-yl)-5-oxo-1-phenyl-4H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepin-6-yl]-N-propan-2-ylacetamide
Molecular weight580.692
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.5
SynonymsBDBM50329186
2-((4R)-4-(1H-indol-3-yl)-5-oxo-1-phenyl-4H-benzo[b][1,2,4]triazolo[4,3-d][1,4]diazepin-6(5H)-yl)-N-benzyl-N-isopropylacetamide
Inchi KeyCFRYWCUTRXGKBW-MGBGTMOVSA-N
Inchi IDInChI=1S/C36H32N6O2/c1-24(2)40(22-25-13-5-3-6-14-25)32(43)23-41-30-19-11-12-20-31(30)42-34(26-15-7-4-8-16-26)38-39-35(42)33(36(41)44)28-21-37-29-18-10-9-17-27(28)29/h3-21,24,33,37H,22-23H2,1-2H3/t33-/m1/s1
PubChem CID52946667
ChEMBLCHEMBL1269264
IUPHARN/A
BindingDB50329186
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
EC50<10000.0 nMPMID20851601BindingDB,ChEMBL
IC50246.0 nMPMID20851601BindingDB,ChEMBL

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