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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

NameCHEMBL324267
Molecular formulaC40H43N5O7
IUPAC name(3R)-3-[[4-[[(2R)-3-(1H-indol-3-yl)-1-(2-naphthalen-2-ylethylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]amino]-4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutanoic acid
Molecular weight705.812
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP4.2
SynonymsN/A
Inchi KeyBHLIDUBYXQPQGM-VSJLXWSYSA-N
Inchi IDInChI=1S/C40H43N5O7/c1-52-31-14-11-26(12-15-31)18-20-41-40(51)35(24-38(48)49)45-37(47)17-16-36(46)44-34(23-30-25-43-33-9-5-4-8-32(30)33)39(50)42-21-19-27-10-13-28-6-2-3-7-29(28)22-27/h2-15,22,25,34-35,43H,16-21,23-24H2,1H3,(H,41,51)(H,42,50)(H,44,46)(H,45,47)(H,48,49)/t34-,35-/m1/s1
PubChem CID44344903
ChEMBLCHEMBL324267
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.

Experimental Data

ParameterValueReferenceDatabase source
pKB6.7 -PMID11000005ChEMBL

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