Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM DMFold SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

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

NameCHEMBL1079114
Molecular formulaC22H24N2O2
IUPAC name2-[4-[2-(5-butyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid
Molecular weight348.446
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP5.2
SynonymsBDBM50313716
4''-(2-(5-butyl-1H-imidazol-2-yl)ethyl)biphenyl-2-carboxylic acid
Inchi KeyLAOYLZSSVAMYMV-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H24N2O2/c1-2-3-6-18-15-23-21(24-18)14-11-16-9-12-17(13-10-16)19-7-4-5-8-20(19)22(25)26/h4-5,7-10,12-13,15H,2-3,6,11,14H2,1H3,(H,23,24)(H,25,26)
PubChem CID46881961
ChEMBLCHEMBL1079114
IUPHARN/A
BindingDB50313716
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Activity116.0 %PMID20167483ChEMBL
EC5093.0 nMPMID20167483BindingDB,ChEMBL

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218