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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

NameCHEMBL332263
Molecular formulaC41H54N6O7
IUPAC name4-[[(2S)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-6-[(2-methylphenyl)carbamoylamino]hexyl]amino]-4-oxobutanoic acid
Molecular weight742.918
Hydrogen bond acceptor7
Hydrogen bond donor7
XlogP4.9
Synonyms4-[[(S)-6-[[[(2-Methylphenyl)amino]carbonyl]amino]-2-[[N-[[(adamantan-2-yl)oxy]carbonyl]-alpha-methyl-D-tryptophyl]amino]hexyl]amino]-4-oxobutanoic acid
BDBM50422046
Inchi KeyDILLUBXISCIMIT-BUNKCQSQSA-N
Inchi IDInChI=1S/C41H54N6O7/c1-25-9-3-5-12-33(25)46-39(52)42-16-8-7-10-31(24-44-35(48)14-15-36(49)50)45-38(51)41(2,22-30-23-43-34-13-6-4-11-32(30)34)47-40(53)54-37-28-18-26-17-27(20-28)21-29(37)19-26/h3-6,9,11-13,23,26-29,31,37,43H,7-8,10,14-22,24H2,1-2H3,(H,44,48)(H,45,51)(H,47,53)(H,49,50)(H2,42,46,52)/t26?,27?,28?,29?,31-,37?,41+/m0/s1
PubChem CID11765552
ChEMBLCHEMBL332263
IUPHARN/A
BindingDB50422046
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
IC5060.0 nMPMID7650691BindingDB
IC5060.26 nMPMID7650691ChEMBL

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