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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

NameCHEMBL3115395
Molecular formulaC23H20F3N3O2
IUPAC name2-(3-phenoxyphenyl)-1-[8-(trifluoromethyl)-1,2,3,5-tetrahydropyrido[2,3-e][1,4]diazepin-4-yl]ethanone
Molecular weight427.427
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50447501
Inchi KeyCCKKAGYKFZUQCU-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H20F3N3O2/c24-23(25,26)20-10-9-17-15-29(12-11-27-22(17)28-20)21(30)14-16-5-4-8-19(13-16)31-18-6-2-1-3-7-18/h1-10,13H,11-12,14-15H2,(H,27,28)
PubChem CID76325135
ChEMBLCHEMBL3115395
IUPHARN/A
BindingDB50447501
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5012.0 nMPMID25497965, PMID24412111BindingDB
EC5012.2 nMPMID25497965, PMID24412111ChEMBL

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