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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

NameCHEMBL3356412
Molecular formulaC24H24F3N3O5
IUPAC name2-[(5R)-4-[2-[3-(cyclopropylmethoxycarbonyl)phenyl]acetyl]-8-(trifluoromethyl)-1,2,3,5-tetrahydropyrido[2,3-e][1,4]diazepin-5-yl]acetic acid
Molecular weight491.467
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP2.9
SynonymsBDBM50041425
Inchi KeyBHHOJBVOBUMJRY-GOSISDBHSA-N
Inchi IDInChI=1S/C24H24F3N3O5/c25-24(26,27)19-7-6-17-18(12-21(32)33)30(9-8-28-22(17)29-19)20(31)11-15-2-1-3-16(10-15)23(34)35-13-14-4-5-14/h1-3,6-7,10,14,18H,4-5,8-9,11-13H2,(H,28,29)(H,32,33)/t18-/m1/s1
PubChem CID118721530
ChEMBLCHEMBL3356412
IUPHARN/A
BindingDB50041425
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC503.7 nMPMID25497965BindingDB,ChEMBL

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