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

NameCHEMBL1092798
Molecular formulaC24H28N2O2
IUPAC name2-[4-[2-(5-butyl-1H-imidazol-2-yl)butyl]phenyl]benzoic acid
Molecular weight376.5
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP5.9
Synonyms4''-(2-(5-butyl-1H-imidazol-2-yl)butyl)biphenyl-2-carboxylic acid
BDBM50313713
Inchi KeyBIFZJMFGTPUNRY-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H28N2O2/c1-3-5-8-20-16-25-23(26-20)18(4-2)15-17-11-13-19(14-12-17)21-9-6-7-10-22(21)24(27)28/h6-7,9-14,16,18H,3-5,8,15H2,1-2H3,(H,25,26)(H,27,28)
PubChem CID46881920
ChEMBLCHEMBL1092798
IUPHARN/A
BindingDB50313713
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
24404Bombesin receptor subtype-3P32247BRS3Homo sapiens (Human)399
24405Bombesin receptor subtype-3O54798Brs3Mus musculus (Mouse)399

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