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

NameCHEMBL236607
Molecular formulaC27H28F2N4
IUPAC nameN-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
Molecular weight446.546
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP6.1
SynonymsBDBM50227118
1-(4-fluorobenzyl)-N-(1-(4-fluorophenethyl)piperidin-4-yl)-1H-benzo[d]imidazol-2-amine
Inchi KeyBDHINVDMKKOVJL-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H28F2N4/c28-22-9-5-20(6-10-22)13-16-32-17-14-24(15-18-32)30-27-31-25-3-1-2-4-26(25)33(27)19-21-7-11-23(29)12-8-21/h1-12,24H,13-19H2,(H,30,31)
PubChem CID12891558
ChEMBLCHEMBL236607
IUPHARN/A
BindingDB50227118
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
20928Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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