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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

NameCHEMBL355608
Molecular formulaC36H41N5O5
IUPAC namebenzyl N-[(2S)-1-[[(2S)-1-[(3R)-3-benzyl-5-oxopiperazin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Molecular weight623.754
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP5.3
SynonymsBDBM50284146
[(S)-1-[(S)-1-((R)-3-Benzyl-5-oxo-piperazine-1-carbonyl)-3-methyl-butylcarbamoyl]-2-(1H-indol-3-yl)-ethyl]-carbamic acid benzyl ester
Inchi KeyBAERKTIXPZLGLW-DPFTZIENSA-N
Inchi IDInChI=1S/C36H41N5O5/c1-24(2)17-32(35(44)41-21-28(38-33(42)22-41)18-25-11-5-3-6-12-25)39-34(43)31(19-27-20-37-30-16-10-9-15-29(27)30)40-36(45)46-23-26-13-7-4-8-14-26/h3-16,20,24,28,31-32,37H,17-19,21-23H2,1-2H3,(H,38,42)(H,39,43)(H,40,45)/t28-,31+,32+/m1/s1
PubChem CID44382088
ChEMBLCHEMBL355608
IUPHARN/A
BindingDB50284146
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
IC5015000.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:7:867BindingDB,ChEMBL

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