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GPCR

NameBombesin receptor subtype-3
SpeciesMus musculus (Mouse)
GeneBrs3
Synonymbb3
BB3 receptor
bombesin like receptor 3
bombesin receptor subtype-3
BRS-3
DiseaseN/A for non-human GPCRs
Length399
Amino acid sequenceMSQRQSQSPNQTLISITNDTETSSSVVSNDTTHKGWTGDNSPGIEALCAIYITYAGIISVGILGNAILIKVFFKTKSMQTVPNIFITSLAFGDLLLLLTCVPVDATHYLAEGWLFGKVGCKVLSFIRLTSVGVSVFTLTILSADRYKAVVKPLERQPPNAILKTCAKAGGIWIVSMIFALPEAIFSNVYTFQDPNRNVTFESCNSYPISERLLQEIHSLLCFLVFYIIPLSIISVYYSLIARTLYKSTLNIPTEEQSHARKQIESRKRIAKTVLVLVALFALCWLPNHLLYLYHSFTYESYANHSDVPFVIIIFSRVLAFSNSCVNPFALYWLSKTFQQHFKAQLCCLKAEQPEPPLGDIPLNNLTVMGRVPATGSAHVSEISVTLFSGSSAKKGEDKV
UniProtO54798
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1075140
IUPHAR40
DrugBankN/A

Ligand

NameCHEMBL1762256
Molecular formulaC17H27N5O3S
IUPAC name1-[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]amino]pyridin-3-yl]sulfonyl-3-tert-butylurea
Molecular weight381.495
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP1.6
SynonymsBDBM50340973
(R)-N-(tert-butylcarbamoyl)-4-(quinuclidin-3-ylamino)pyridine-3-sulfonamide
Inchi KeyLSMLUMRJVVLATC-AWEZNQCLSA-N
Inchi IDInChI=1S/C17H27N5O3S/c1-17(2,3)20-16(23)21-26(24,25)15-10-18-7-4-13(15)19-14-11-22-8-5-12(14)6-9-22/h4,7,10,12,14H,5-6,8-9,11H2,1-3H3,(H,18,19)(H2,20,21,23)/t14-/m0/s1
PubChem CID54580464
ChEMBLCHEMBL1762256
IUPHARN/A
BindingDB50340973
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Activity0.0 %PMID21354793ChEMBL
EC50<10000.0 nMPMID21354793BindingDB,ChEMBL

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