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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

NameCHEMBL3143146
Molecular formulaC45H58N8O7S
IUPAC nametert-butyl N-[(2S)-1-[[(2S)-1-[(4R)-4-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl]-6-[(2-methylphenyl)carbamoylamino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Molecular weight855.068
Hydrogen bond acceptor8
Hydrogen bond donor7
XlogP5.5
SynonymsN/A
Inchi KeyAOSLBQLVLOJVEM-SXSGAZDGSA-N
Inchi IDInChI=1S/C45H58N8O7S/c1-28-16-10-12-20-32(28)51-42(58)47-23-15-14-22-34(49-39(55)36(52-43(59)60-44(2,3)4)25-30-26-48-33-21-13-11-19-31(30)33)41(57)53-27-61-45(5,6)37(53)40(56)50-35(38(46)54)24-29-17-8-7-9-18-29/h7-13,16-21,26,34-37,48H,14-15,22-25,27H2,1-6H3,(H2,46,54)(H,49,55)(H,50,56)(H,52,59)(H2,47,51,58)/t34-,35?,36-,37+/m0/s1
PubChem CID90663256
ChEMBLCHEMBL3143146
IUPHARN/A
BindingDBN/A
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.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC507400.0 nMPMID1433225ChEMBL

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