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

NameCHEMBL1770475
Molecular formulaC26H24N4OS
IUPAC nameN-[1-[1-[(4-cyanophenyl)methyl]benzimidazol-2-yl]-3-methylsulfanylpropyl]benzamide
Molecular weight440.565
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.6
SynonymsBDBM50418344
N-[1-[1-[(4-cyanophenyl)methyl]benzimidazol-2-yl]-3-methylsulfanylpropyl]benzamide
AC1N0LLS
Inchi KeyDHNKGZRZFTXMAC-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H24N4OS/c1-32-16-15-23(29-26(31)21-7-3-2-4-8-21)25-28-22-9-5-6-10-24(22)30(25)18-20-13-11-19(17-27)12-14-20/h2-14,23H,15-16,18H2,1H3,(H,29,31)
PubChem CID3939767
ChEMBLCHEMBL1770475
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
60156fMet-Leu-Phe receptorP21462FPR1Homo sapiens (Human)350

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