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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

NameCHEMBL217957
Molecular formulaC58H73N11O13
IUPAC name(3S)-4-[[(2S)-1-[[(2R)-1-[2-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]hydrazinyl]-3-(1H-indol-2-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-oxobutanoic acid
Molecular weight1132.29
Hydrogen bond acceptor14
Hydrogen bond donor13
XlogP2.2
SynonymsD0S7SO
H-Tyr-D-Ala-Gly-Phe-NH-NH-D-Trp-Nle-Asp-Phe-Bo
BDBM50202115
Inchi KeyFEOAQCGOOODCEB-RXFVQNAMSA-N
Inchi IDInChI=1S/C58H73N11O13/c1-6-7-21-43(64-54(78)47(32-49(72)73)66-53(77)44(28-35-16-10-8-11-17-35)67-57(81)82-58(3,4)5)52(76)65-46(31-39-30-38-20-14-15-22-42(38)62-39)56(80)69-68-55(79)45(29-36-18-12-9-13-19-36)63-48(71)33-60-50(74)34(2)61-51(75)41(59)27-37-23-25-40(70)26-24-37/h8-20,22-26,30,34,41,43-47,62,70H,6-7,21,27-29,31-33,59H2,1-5H3,(H,60,74)(H,61,75)(H,63,71)(H,64,78)(H,65,76)(H,66,77)(H,67,81)(H,68,79)(H,69,80)(H,72,73)/t34-,41+,43+,44+,45+,46-,47+/m1/s1
PubChem CID16100407
ChEMBLCHEMBL217957
IUPHARN/A
BindingDB50202115
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.

Experimental Data

ParameterValueReferenceDatabase source
IC508.51138e+11 nMPMID17201419ChEMBL
Ki<10000.0 nMPMID17201419BindingDB,ChEMBL

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