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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

NameCHEMBL278032
Molecular formulaC34H45N5O7
IUPAC name(3S)-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylpentanoyl]amino]-4-oxo-4-(2-phenylethylamino)butanoic acid
Molecular weight635.762
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP4.3
Synonyms(S)-3-((S)-2-((S)-2-(tert-butoxycarbonyl)-3-(1H-indol-3-yl)propanamido)-4-methylpentanamido)-4-oxo-4-(phenethylamino)butanoic acid
BDBM50280054
(S)-3-{(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-4-methyl-pentanoylamino}-N-phenethyl-succinamic acid
Inchi KeyAOGYJTPQNKQETC-KCHLEUMXSA-N
Inchi IDInChI=1S/C34H45N5O7/c1-21(2)17-26(31(43)38-28(19-29(40)41)30(42)35-16-15-22-11-7-6-8-12-22)37-32(44)27(39-33(45)46-34(3,4)5)18-23-20-36-25-14-10-9-13-24(23)25/h6-14,20-21,26-28,36H,15-19H2,1-5H3,(H,35,42)(H,37,44)(H,38,43)(H,39,45)(H,40,41)/t26-,27-,28-/m0/s1
PubChem CID44272229
ChEMBLCHEMBL278032
IUPHARN/A
BindingDB50280054
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
Ki7943.28 nMPMID18201065ChEMBL

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