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 ●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:

Ligand

NameCHEMBL1079696
Molecular formulaC25H30N2O2
IUPAC name2-[4-[2-(5-butyl-1H-imidazol-2-yl)-3-methylbutyl]phenyl]benzoic acid
Molecular weight390.527
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP6.3
SynonymsBDBM50313715
4''-(2-(5-butyl-1H-imidazol-2-yl)-3-methylbutyl)biphenyl-2-carboxylic acid
Inchi KeyFGLQQIPVIQVKNL-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H30N2O2/c1-4-5-8-20-16-26-24(27-20)23(17(2)3)15-18-11-13-19(14-12-18)21-9-6-7-10-22(21)25(28)29/h6-7,9-14,16-17,23H,4-5,8,15H2,1-3H3,(H,26,27)(H,28,29)
PubChem CID46882057
ChEMBLCHEMBL1079696
IUPHARN/A
BindingDB50313715
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
77880Bombesin receptor subtype-3P32247BRS3Homo sapiens (Human)399
77881Bombesin receptor subtype-3O54798Brs3Mus musculus (Mouse)399

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417