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

NameCHEMBL1088614
Molecular formulaC25H21FN2O2
IUPAC name2-[4-[2-[5-[(3-fluorophenyl)methyl]-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid
Molecular weight400.453
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.5
SynonymsBDBM50313736
4''-(2-(5-(3-fluorobenzyl)-1H-imidazol-2-yl)ethyl)biphenyl-2-carboxylic acid
Inchi KeyCQHOCTZCLLUZPI-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H21FN2O2/c26-20-5-3-4-18(14-20)15-21-16-27-24(28-21)13-10-17-8-11-19(12-9-17)22-6-1-2-7-23(22)25(29)30/h1-9,11-12,14,16H,10,13,15H2,(H,27,28)(H,29,30)
PubChem CID46881473
ChEMBLCHEMBL1088614
IUPHARN/A
BindingDB50313736
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
48088Bombesin receptor subtype-3P32247BRS3Homo sapiens (Human)399
48089Bombesin receptor subtype-3O54798Brs3Mus musculus (Mouse)399

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