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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

NameCHEMBL3356407
Molecular formulaC25H28F3N3O5
IUPAC name2-[(5R)-4-[2-[3-(3,3-dimethylbutanoyloxy)phenyl]acetyl]-8-(trifluoromethyl)-1,2,3,5-tetrahydropyrido[2,3-e][1,4]diazepin-5-yl]acetic acid
Molecular weight507.51
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP3.7
Synonyms8-(Trifluoromethyl)-2,3,4,5-tetrahydro-4-[[3-(3,3-dimethylbutyryloxy)phenyl]acetyl]-1H-pyrido[2,3-e][1,4]diazepine-5alpha-acetic acid
BDBM50041420
Inchi KeyMEKDARVTPYLDOP-GOSISDBHSA-N
Inchi IDInChI=1S/C25H28F3N3O5/c1-24(2,3)14-22(35)36-16-6-4-5-15(11-16)12-20(32)31-10-9-29-23-17(18(31)13-21(33)34)7-8-19(30-23)25(26,27)28/h4-8,11,18H,9-10,12-14H2,1-3H3,(H,29,30)(H,33,34)/t18-/m1/s1
PubChem CID118721525
ChEMBLCHEMBL3356407
IUPHARN/A
BindingDB50041420
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC5020.0 nMPMID25497965BindingDB,ChEMBL

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