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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

NameGI-181771X
Molecular formulaC34H31N5O6
IUPAC name3-[[(3S)-2,4-dioxo-1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]-5-phenyl-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid
Molecular weight605.651
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP4.3
SynonymsD0F6CT
HY-11076
782482-04-6
GI 181771
UNII-6YF0SHR37T
[ Show all ]
Inchi KeyCABBMMXFOOZVMS-PMERELPUSA-N
Inchi IDInChI=1S/C34H31N5O6/c1-22(2)38(25-14-5-3-6-15-25)29(40)21-37-27-18-9-10-19-28(27)39(26-16-7-4-8-17-26)32(42)30(31(37)41)36-34(45)35-24-13-11-12-23(20-24)33(43)44/h3-20,22,30H,21H2,1-2H3,(H,43,44)(H2,35,36,45)/t30-/m0/s1
PubChem CID51353551
ChEMBLCHEMBL1269257
IUPHARN/A
BindingDB50329178
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity62.8 %PMID20851601ChEMBL
EC500.0024 nMPMID25862198ChEMBL
EC500.01 nMPMID25862198ChEMBL
EC500.013 nMPMID25862198ChEMBL
EC500.19 nMPMID25862198ChEMBL
EC500.8 nMPMID25862198ChEMBL
EC500.8 nMPMID25862198BindingDB
EC502.4 nMPMID25862198BindingDB
EC5010.0 nMPMID25862198BindingDB
EC5013.0 nMPMID25862198BindingDB
EC50190.0 nMPMID25862198BindingDB
EC50283.0 nMPMID20851601BindingDB,ChEMBL
IC50105.0 nMPMID25862198BindingDB,ChEMBL
IC50126.0 nMPMID8978852BindingDB
IC50128.0 nMPMID25862198BindingDB,ChEMBL
IC50131.0 nMPMID20851601BindingDB,ChEMBL

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