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GPCR

NameGastrin/cholecystokinin type B receptor
SpeciesRattus norvegicus (Rat)
GeneCckbr
SynonymCHOLREC
Cholecystokinin-2 receptor
CCK2-R
CCK2 receptor
CCK-BR
[ Show all ]
DiseaseN/A for non-human GPCRs
Length452
Amino acid sequenceMELLKLNRSVQGPGPGSGSSLCRPGVSLLNSSSAGNLSCDPPRIRGTGTRELEMAIRITLYAVIFLMSVGGNVLIIVVLGLSRRLRTVTNAFLLSLAVSDLLLAVACMPFTLLPNLMGTFIFGTVICKAISYLMGVSVSVSTLNLVAIALERYSAICRPLQARVWQTRSHAARVILATWLLSGLLMVPYPVYTMVQPVGPRVLQCMHRWPSARVQQTWSVLLLLLLFFIPGVVIAVAYGLISRELYLGLHFDGENDSETQSRARNQGGLPGGAAPGPVHQNGGCRPVTSVAGEDSDGCCVQLPRSRLEMTTLTTPTPGPVPGPRPNQAKLLAKKRVVRMLLVIVLLFFLCWLPVYSVNTWRAFDGPGAQRALSGAPISFIHLLSYVSACVNPLVYCFMHRRFRQACLDTCARCCPRPPRARPQPLPDEDPPTPSIASLSRLSYTTISTLGPG
UniProtP30553
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3508
IUPHAR77
DrugBankN/A

Ligand

NameCHEMBL368380
Molecular formulaC32H39N5O5
IUPAC nametert-butyl N-[(2S)-1-[[(2R,8S,8aR)-2-benzyl-2-carbamoyl-3-oxo-1,5,6,7,8,8a-hexahydroindolizin-8-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Molecular weight573.694
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP4.1
SynonymsBDBM50289203
[(S)-1-((2R,8S,8aR)-2-Benzyl-2-carbamoyl-3-oxo-octahydro-indolizin-8-ylcarbamoyl)-2-(1H-indol-3-yl)-ethyl]-carbamic acid tert-butyl ester
Inchi KeyCOAJVURUXJGOLB-KYFCECMNSA-N
Inchi IDInChI=1S/C32H39N5O5/c1-31(2,3)42-30(41)36-25(16-21-19-34-23-13-8-7-12-22(21)23)27(38)35-24-14-9-15-37-26(24)18-32(28(33)39,29(37)40)17-20-10-5-4-6-11-20/h4-8,10-13,19,24-26,34H,9,14-18H2,1-3H3,(H2,33,39)(H,35,38)(H,36,41)/t24-,25-,26+,32+/m0/s1
PubChem CID10325770
ChEMBLCHEMBL368380
IUPHARN/A
BindingDB50289203
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nM, Bioorg. Med. Chem. Lett., (1996) 6:8:967BindingDB,ChEMBL

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