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GPCR

NameBombesin receptor subtype-3
SpeciesHomo sapiens (Human)
GeneBRS3
Synonymbb3
BRS-3
bombesin receptor subtype-3
BB3 receptor
bombesin like receptor 3
DiseaseBreast cancer
Cancer
Length399
Amino acid sequenceMAQRQPHSPNQTLISITNDTESSSSVVSNDNTNKGWSGDNSPGIEALCAIYITYAVIISVGILGNAILIKVFFKTKSMQTVPNIFITSLAFGDLLLLLTCVPVDATHYLAEGWLFGRIGCKVLSFIRLTSVGVSVFTLTILSADRYKAVVKPLERQPSNAILKTCVKAGCVWIVSMIFALPEAIFSNVYTFRDPNKNMTFESCTSYPVSKKLLQEIHSLLCFLVFYIIPLSIISVYYSLIARTLYKSTLNIPTEEQSHARKQIESRKRIARTVLVLVALFALCWLPNHLLYLYHSFTSQTYVDPSAMHFIFTIFSRVLAFSNSCVNPFALYWLSKSFQKHFKAQLFCCKAERPEPPVADTSLTTLAVMGTVPGTGSIQMSEISVTSFTGCSVKQAEDRF
UniProtP32247
Protein Data BankN/A
GPCR-HGmod modelP32247
3D structure modelThis predicted structure model is from GPCR-EXP P32247.
BioLiPN/A
Therapeutic Target DatabaseT68887
ChEMBLCHEMBL4080
IUPHAR40
DrugBankN/A

Ligand

NameCHEMBL3115393
Molecular formulaC27H20F3N3O2
IUPAC name2-(4-phenoxyphenyl)-1-[2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]ethanone
Molecular weight475.471
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.7
SynonymsBDBM50447503
Inchi KeyFTLPKHNFBMSRGC-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H20F3N3O2/c28-27(29,30)24-15-12-19-17-33(23-9-5-4-8-22(23)31-26(19)32-24)25(34)16-18-10-13-21(14-11-18)35-20-6-2-1-3-7-20/h1-15H,16-17H2,(H,31,32)
PubChem CID76314246
ChEMBLCHEMBL3115393
IUPHARN/A
BindingDB50447503
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50368.0 nMPMID25497965, PMID24412111BindingDB,ChEMBL

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