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:

Ligand

NameCHEMBL1079518
Molecular formulaC26H32N2O2
IUPAC name2-[4-[2-(5-butyl-1H-imidazol-2-yl)hexyl]phenyl]benzoic acid
Molecular weight404.554
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP7.0
Synonyms4''-(2-(5-butyl-1H-imidazol-2-yl)hexyl)biphenyl-2-carboxylic acid
BDBM50313711
Inchi KeyDHDWHBGBFRLMTK-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H32N2O2/c1-3-5-9-21(25-27-18-22(28-25)10-6-4-2)17-19-13-15-20(16-14-19)23-11-7-8-12-24(23)26(29)30/h7-8,11-16,18,21H,3-6,9-10,17H2,1-2H3,(H,27,28)(H,29,30)
PubChem CID46882012
ChEMBLCHEMBL1079518
IUPHARN/A
BindingDB50313711
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
59904Bombesin receptor subtype-3O54798Brs3Mus musculus (Mouse)399
59905Bombesin receptor subtype-3P32247BRS3Homo sapiens (Human)399

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