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

NameSubstituted Benzene Analog 51
Molecular formulaC30H30N4O2
IUPAC nameN-[(4-carbamimidoylphenyl)methyl]-2-[2-hydroxy-6-phenyl-3-(2-phenylethylamino)phenyl]acetamide
Molecular weight478.596
Hydrogen bond acceptor4
Hydrogen bond donor5
XlogP4.8
SynonymsCHEMBL138119
BDBM14600
N-[(4-carbamimidoylphenyl)methyl]-2-{2-hydroxy-6-phenyl-3-[(2-phenylethyl)amino]phenyl}acetamide
N-{4-[Amino(imino)methyl]benzyl}-2-{3-hydroxy-4-[(2-phenylethyl)amino]-1,1-biphenyl-2-yl}acetamide
Inchi KeyBMKZZNQBNUXUQB-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H30N4O2/c31-30(32)24-13-11-22(12-14-24)20-34-28(35)19-26-25(23-9-5-2-6-10-23)15-16-27(29(26)36)33-18-17-21-7-3-1-4-8-21/h1-16,33,36H,17-20H2,(H3,31,32)(H,34,35)
PubChem CID10994432
ChEMBLCHEMBL138119
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
27581Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520

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