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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

NameCHEMBL412238
Molecular formulaC48H62N8O13S
IUPAC name(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[3-(4-sulfooxyphenyl)propanoylamino]hexanoyl]amino]acetyl]amino]propanoyl]-methylamino]-4-methylpentanoyl]amino]-4-oxobutanoic acid
Molecular weight991.127
Hydrogen bond acceptor13
Hydrogen bond donor9
XlogP3.5
SynonymsN-(1-Carbamoyl-2-phenyl-ethyl)-3-(2-{3-(1H-indol-3-yl)-2-[methyl-(2-{2-[3-(4-sulfonyl-oxy-phenyl)-propionylamino]-hexanoylamino}-acetyl)-amino]-propionylamino}-4-methyl-pentanoylamino)-succinamic acid
A-72962
BDBM50004490
Inchi KeyCNWXJSZWVGJITL-HECCNADXSA-N
Inchi IDInChI=1S/C48H62N8O13S/c1-5-6-15-36(52-41(57)22-19-30-17-20-33(21-18-30)69-70(66,67)68)45(62)51-28-42(58)53-39(25-32-27-50-35-16-11-10-14-34(32)35)48(65)56(4)40(23-29(2)3)47(64)55-38(26-43(59)60)46(63)54-37(44(49)61)24-31-12-8-7-9-13-31/h7-14,16-18,20-21,27,29,36-40,50H,5-6,15,19,22-26,28H2,1-4H3,(H2,49,61)(H,51,62)(H,52,57)(H,53,58)(H,54,63)(H,55,64)(H,59,60)(H,66,67,68)/t36-,37-,38-,39-,40-/m0/s1
PubChem CID10440992
ChEMBLCHEMBL412238
IUPHARN/A
BindingDB50004490
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC50140.0 nMPMID1501220, PMID8126703BindingDB,ChEMBL

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