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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

NameCHEMBL24313
Molecular formulaC37H37N5O7
IUPAC name5-[[(2S)-2-[[6-(1-adamantylmethylcarbamoyl)-1H-benzimidazole-5-carbonyl]amino]-3-phenylpropanoyl]amino]benzene-1,3-dicarboxylic acid
Molecular weight663.731
Hydrogen bond acceptor8
Hydrogen bond donor6
XlogP4.9
SynonymsBDBM50421390
5-[[(S)-2-[[5-[[(1-Adamantylmethyl)amino]carbonyl]-1H-benzimidazol-6-yl]carbonylamino]-3-phenylpropionyl]amino]isophthalic acid
Inchi KeyCOFMXAMZFBQDCV-PEEQTCMYSA-N
Inchi IDInChI=1S/C37H37N5O7/c43-32(38-18-37-15-21-6-22(16-37)8-23(7-21)17-37)27-13-29-30(40-19-39-29)14-28(27)33(44)42-31(9-20-4-2-1-3-5-20)34(45)41-26-11-24(35(46)47)10-25(12-26)36(48)49/h1-5,10-14,19,21-23,31H,6-9,15-18H2,(H,38,43)(H,39,40)(H,41,45)(H,42,44)(H,46,47)(H,48,49)/t21?,22?,23?,31-,37?/m0/s1
PubChem CID10770670
ChEMBLCHEMBL24313
IUPHARN/A
BindingDB50421390
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
Ki1479.11 nMPMID8627604ChEMBL

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