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GPCR

NameGastrin/cholecystokinin type B receptor
SpeciesMus musculus (Mouse)
GeneCckbr
SynonymCHOLREC
Cholecystokinin-2 receptor
CCK2-R
CCK2 receptor
CCK-BR
[ Show all ]
DiseaseN/A for non-human GPCRs
Length453
Amino acid sequenceMDLLKLNRSLQGPGPGSGSSLCRPGVSLLNSSSAGNLSCETPRIRGTGTRELELTIRITLYAVIFLMSVGGNVLIIVVLGLSRRLRTVTNAFLLSLAVSDLLLAVACMPFTLLPNLMGTFIFGTVICKAVSYLMGVSVSVSTLNLAAIALERYSAICRPLQARVWQTRSHAARVILATWLLSGLLMVPYPVYTVVQPVGPRILQCMHLWPSERVQQMWSVLLLILLFFIPGVVMAVAYGLISRELYLGLRFDGDNDSETQSRVRNQGGLPGGAAAPGPVHQNGGCRHVTSLTGEDSDGCYVQLPRSRLEMTTLTTPTTGPGPGPRPNQAKLLAKKRVVRMLLVIVLLFFVCWLPVYSANTWRAFDGPGARRALAGAPISFIHLLSYTSACANPLVYCFMHRRFRQACLDTCARCCPRPPRARPRPLPDEDPPTPSIASLSRLSYTTISTLGPG
UniProtP56481
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2854
IUPHAR77
DrugBankN/A

Ligand

NameCHEMBL354633
Molecular formulaC23H17ClF3N3OS
IUPAC name(4R,5S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxo-4,5-diphenylpyrazolidine-1-carbothioamide
Molecular weight475.914
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.7
SynonymsBDBM50281729
LY-294920
(4R,5S)-3-Oxo-4,5-diphenyl-pyrazolidine-1-carbothioic acid (4-chloro-3-trifluoromethyl-phenyl)-amide
SCHEMBL8846937
Inchi KeyDFOIEDQSOJASSS-WOJBJXKFSA-N
Inchi IDInChI=1S/C23H17ClF3N3OS/c24-18-12-11-16(13-17(18)23(25,26)27)28-22(32)30-20(15-9-5-2-6-10-15)19(21(31)29-30)14-7-3-1-4-8-14/h1-13,19-20H,(H,28,32)(H,29,31)/t19-,20-/m1/s1
PubChem CID44382329
ChEMBLCHEMBL354633
IUPHARN/A
BindingDB50281729
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50880.0 nMN/ABindingDB
IC501900.0 nM, Bioorg. Med. Chem. Lett., (1993) 3:5:875BindingDB,ChEMBL

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