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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

NameCHEMBL292097
Molecular formulaC32H41N7O7
IUPAC name(3S)-3-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
Molecular weight635.722
Hydrogen bond acceptor8
Hydrogen bond donor8
XlogP-1.5
SynonymsBDBM50280904
(S)-3-{(S)-2-[(S)-2-(2-Amino-acetylamino)-3-(S)-1H-indol-3-yl-propionylamino]-hexanoylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid
Inchi KeyDZACSGLWVJJFJL-CQJMVLFOSA-N
Inchi IDInChI=1S/C32H41N7O7/c1-2-3-12-23(37-31(45)25(36-27(40)17-33)15-20-18-35-22-13-8-7-11-21(20)22)30(44)39-26(16-28(41)42)32(46)38-24(29(34)43)14-19-9-5-4-6-10-19/h4-11,13,18,23-26,35H,2-3,12,14-17,33H2,1H3,(H2,34,43)(H,36,40)(H,37,45)(H,38,46)(H,39,44)(H,41,42)/t23-,24-,25-,26-/m0/s1
PubChem CID44303654
ChEMBLCHEMBL292097
IUPHARN/A
BindingDB50280904
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC502175.0 nM, Bioorg. Med. Chem. Lett., (1993) 3:10:2011BindingDB,ChEMBL
Ratio12.9 -Bioorg. Med. Chem. Lett., (1993) 3:10:2011ChEMBL

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