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GPCR

NameCholecystokinin receptor type A
SpeciesRattus norvegicus (Rat)
GeneCckar
SynonymCCK-A receptor
CCK-AR
CCK1 receptor
CCK1-R
cholecystokinin receptor type A
[ Show all ]
DiseaseN/A for non-human GPCRs
Length444
Amino acid sequenceMSHSPARQHLVESSRMDVVDSLLMNGSNITPPCELGLENETLFCLDQPQPSKEWQSALQILLYSIIFLLSVLGNTLVITVLIRNKRMRTVTNIFLLSLAVSDLMLCLFCMPFNLIPNLLKDFIFGSAVCKTTTYFMGTSVSVSTFNLVAISLERYGAICRPLQSRVWQTKSHALKVIAATWCLSFTIMTPYPIYSNLVPFTKNNNQTANMCRFLLPSDAMQQSWQTFLLLILFLLPGIVMVVAYGLISLELYQGIKFDASQKKSAKEKKPSTGSSTRYEDSDGCYLQKSRPPRKLELQQLSSGSGGSRLNRIRSSSSAANLIAKKRVIRMLIVIVVLFFLCWMPIFSANAWRAYDTVSAEKHLSGTPISFILLLSYTSSCVNPIIYCFMNKRFRLGFMATFPCCPNPGPPGVRGEVGEEEDGRTIRALLSRYSYSHMSTSAPPP
UniProtP30551
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2871
IUPHAR76
DrugBankN/A

Ligand

NameCHEMBL44345
Molecular formulaC27H38N6O8S
IUPAC name(3S)-4-amino-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid
Molecular weight606.695
Hydrogen bond acceptor9
Hydrogen bond donor7
XlogP0.3
SynonymsBDBM50026298
3-{2-[2-(2-tert-Butoxycarbonylamino-acetylamino)-3-(1H-indol-3-yl)-propionylamino]-4-methylsulfanyl-butyrylamino}-succinamic acid
Inchi KeyJHECZIRGDUWXEY-UFYCRDLUSA-N
Inchi IDInChI=1S/C27H38N6O8S/c1-27(2,3)41-26(40)30-14-21(34)31-20(11-15-13-29-17-8-6-5-7-16(15)17)25(39)32-18(9-10-42-4)24(38)33-19(23(28)37)12-22(35)36/h5-8,13,18-20,29H,9-12,14H2,1-4H3,(H2,28,37)(H,30,40)(H,31,34)(H,32,39)(H,33,38)(H,35,36)/t18-,19-,20-/m0/s1
PubChem CID44288445
ChEMBLCHEMBL44345
IUPHARN/A
BindingDB50026298
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
IC5030000.0 nMPMID6094810BindingDB,ChEMBL

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