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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

NameCHEMBL294329
Molecular formulaC33H40F3N9O7
IUPAC name(3S,4R)-5-amino-3-[[(2S)-2-[5-[(1S)-1-[(2-aminoacetyl)amino]-2-(1H-indol-3-yl)ethyl]tetrazol-1-yl]hexanoyl]amino]-4-benzyl-5-oxopentanoic acid;2,2,2-trifluoroacetic acid
Molecular weight731.734
Hydrogen bond acceptor14
Hydrogen bond donor7
XlogPNone
SynonymsN/A
Inchi KeyCGDCEFKPUWXLAY-RQWUYHMCSA-N
Inchi IDInChI=1S/C31H39N9O5.C2HF3O2/c1-2-3-13-26(31(45)36-24(16-28(42)43)22(29(33)44)14-19-9-5-4-6-10-19)40-30(37-38-39-40)25(35-27(41)17-32)15-20-18-34-23-12-8-7-11-21(20)23;3-2(4,5)1(6)7/h4-12,18,22,24-26,34H,2-3,13-17,32H2,1H3,(H2,33,44)(H,35,41)(H,36,45)(H,42,43);(H,6,7)/t22-,24+,25+,26+;/m1./s1
PubChem CID44303509
ChEMBLCHEMBL294329
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nMBioorg. Med. Chem. Lett., (1993) 3:10:2011ChEMBL
Ratio<1.9 -Bioorg. Med. Chem. Lett., (1993) 3:10:2011ChEMBL

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