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GPCR

NameCholecystokinin receptor type A
SpeciesCavia porcellus (Guinea pig)
GeneCCKAR
SynonymCCK-A receptor
CCK-AR
CCK1-R
Cholecystokinin-1 receptor
DiseaseN/A for non-human GPCRs
Length430
Amino acid sequenceMDVVDSLFVNGSNITSACELGFENETLFCLDRPRPSKEWQPAVQILLYSLIFLLSVLGNTLVITVLIRNKRMRTVTNIFLLSLAVSDLMLCLFCMPFNLIPSLLKDFIFGSAVCKTTTYFMGTSVSVSTFNLVAISLERYGAICKPLQSRVWQTKSHALKVIAATWCLSFTIMTPYPIYSNLVPFTKNNNQTGNMCRFLLPNDVMQQTWHTFLLLILFLIPGIVMMVAYGLISLELYQGIKFDAIQKKSAKERKTSTGSSGPMEDSDGCYLQKSRHPRKLELRQLSPSSSGSNRINRIRSSSSTANLMAKKRVIRMLIVIVVLFFLCWMPIFSANAWRAYDTVSAERHLSGTPISFILLLSYTSSCVNPIIYCFMNKRFRLGFMATFPCCPNPGTPGVRGEMGEEEEGRTTGASLSRYSYSHMSTSAPPP
UniProtQ63931
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3501
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL407183
Molecular formulaC42H45ClN6O8
IUPAC name(3R)-4-[[(2S)-1-amino-3-(4-chlorophenyl)-1-oxopropan-2-yl]amino]-3-[[(2R)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-4-oxobutanoic acid
Molecular weight797.306
Hydrogen bond acceptor8
Hydrogen bond donor7
XlogP5.4
SynonymsN/A
Inchi KeyAUELCXCCQCOZHF-OQIMXIDESA-N
Inchi IDInChI=1S/C42H45ClN6O8/c1-42(2,3)57-41(56)49-34(21-28-23-45-31-11-7-6-10-30(28)31)39(54)47-33(20-25-12-15-26-8-4-5-9-27(26)18-25)38(53)48-35(22-36(50)51)40(55)46-32(37(44)52)19-24-13-16-29(43)17-14-24/h4-18,23,32-35,45H,19-22H2,1-3H3,(H2,44,52)(H,46,55)(H,47,54)(H,48,53)(H,49,56)(H,50,51)/t32-,33+,34-,35+/m0/s1
PubChem CID44344561
ChEMBLCHEMBL407183
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
KBp5.9 -PMID11000005ChEMBL

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