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

NameCHEMBL418296
Molecular formulaC27H30N4
IUPAC name1-benzyl-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine
Molecular weight410.565
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.9
SynonymsSCHEMBL11381151
Inchi KeyBVBWQMAIZMFKRW-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H30N4/c1-3-9-22(10-4-1)15-18-30-19-16-24(17-20-30)28-27-29-25-13-7-8-14-26(25)31(27)21-23-11-5-2-6-12-23/h1-14,24H,15-21H2,(H,28,29)
PubChem CID12891510
ChEMBLCHEMBL418296
IUPHARN/A
BindingDBN/A
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
33576Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488

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