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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

NameCHEMBL339515
Molecular formulaC29H30Cl2N4O3
IUPAC nameN-tert-butyl-2-[(3R,5R)-7-chloro-3-[(3-chlorophenyl)carbamoylamino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetamide
Molecular weight553.484
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP5.5
SynonymsN-tert-Butyl-2-{(3R,5R)-7-chloro-3-[3-(3-chloro-phenyl)-ureido]-2-oxo-5-phenyl-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl}-acetamide
BDBM50037855
N-tert-Butyl-2-[[2,3,4,5-tetrahydro-7-chloro-5alpha-phenyl-2-oxo-3alpha-[3-(3-chlorophenyl)ureido]-1H-1-benzazepin]-1-yl]acetamide
Inchi KeyALPLVUYDOOIUAE-ISKFKSNPSA-N
Inchi IDInChI=1S/C29H30Cl2N4O3/c1-29(2,3)34-26(36)17-35-25-13-12-20(31)15-23(25)22(18-8-5-4-6-9-18)16-24(27(35)37)33-28(38)32-21-11-7-10-19(30)14-21/h4-15,22,24H,16-17H2,1-3H3,(H,34,36)(H2,32,33,38)/t22-,24-/m1/s1
PubChem CID9985099
ChEMBLCHEMBL339515
IUPHARN/A
BindingDB50037855
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50287.0 nMPMID7966138BindingDB,ChEMBL

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