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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

NameCHEMBL60731
Molecular formulaC45H57N7O10
IUPAC name4-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-[[(2S)-2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-6-[3-(4-methoxyphenyl)propanoylamino]hexanoyl]amino]-4-oxobutanoic acid
Molecular weight855.99
Hydrogen bond acceptor10
Hydrogen bond donor8
XlogP3.8
SynonymsBDBM50002495
3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-6-[3-(4-methoxy-phenyl)-propionylamino]-hexanoylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid; hydrate
Inchi KeyAJVLLGWDFJYUDZ-KKHBYIRHSA-N
Inchi IDInChI=1S/C45H57N7O10/c1-45(2,3)62-44(60)52-36(25-30-27-48-33-15-9-8-14-32(30)33)42(58)49-34(16-10-11-23-47-38(53)22-19-28-17-20-31(61-4)21-18-28)41(57)51-37(26-39(54)55)43(59)50-35(40(46)56)24-29-12-6-5-7-13-29/h5-9,12-15,17-18,20-21,27,34-37,48H,10-11,16,19,22-26H2,1-4H3,(H2,46,56)(H,47,53)(H,49,58)(H,50,59)(H,51,57)(H,52,60)(H,54,55)/t34-,35?,36?,37?/m0/s1
PubChem CID44303439
ChEMBLN/A
IUPHARN/A
BindingDB50002495
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
IC50140.0 nMPMID1375964BindingDB

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