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GPCR

NameBombesin receptor subtype-3
SpeciesHomo sapiens (Human)
GeneBRS3
Synonymbombesin receptor subtype-3
BRS-3
bombesin like receptor 3
BB3 receptor
bb3
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

NameCHEMBL3115383
Molecular formulaC24H20F3N3O4
IUPAC name4-[2-(3-phenoxyphenyl)acetyl]-8-(trifluoromethyl)-1,2,3,5-tetrahydropyrido[2,3-e][1,4]diazepine-5-carboxylic acid
Molecular weight471.436
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP4.1
SynonymsBDBM50447482
Inchi KeyDNDLCIYZNCLEGT-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H20F3N3O4/c25-24(26,27)19-10-9-18-21(23(32)33)30(12-11-28-22(18)29-19)20(31)14-15-5-4-8-17(13-15)34-16-6-2-1-3-7-16/h1-10,13,21H,11-12,14H2,(H,28,29)(H,32,33)
PubChem CID76321531
ChEMBLCHEMBL3115383
IUPHARN/A
BindingDB50447482
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC501562.0 nMPMID24412111BindingDB,ChEMBL

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