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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

NameCHEMBL3356408
Molecular formulaC20H18F3N3O5
IUPAC name3-[2-[(5R)-5-(carboxymethyl)-8-(trifluoromethyl)-1,2,3,5-tetrahydropyrido[2,3-e][1,4]diazepin-4-yl]-2-oxoethyl]benzoic acid
Molecular weight437.375
Hydrogen bond acceptor10
Hydrogen bond donor3
XlogP1.8
SynonymsBDBM50041421
Inchi KeyBUUHEMAERBFGQP-CQSZACIVSA-N
Inchi IDInChI=1S/C20H18F3N3O5/c21-20(22,23)15-5-4-13-14(10-17(28)29)26(7-6-24-18(13)25-15)16(27)9-11-2-1-3-12(8-11)19(30)31/h1-5,8,14H,6-7,9-10H2,(H,24,25)(H,28,29)(H,30,31)/t14-/m1/s1
PubChem CID118721526
ChEMBLCHEMBL3356408
IUPHARN/A
BindingDB50041421
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50<10000.0 nMPMID25497965BindingDB,ChEMBL

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