Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL1243256
Molecular formulaC28H35N3O6S
IUPAC name2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]propyl]phenyl]-N-[(2-methoxyphenyl)methyl]acetamide
Molecular weight541.663
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP2.3
SynonymsSCHEMBL5037158
BDBM50326552
2-(3-((R)-2-((R)-2-hydroxy-2-(4-hydroxy-3-(methylsulfonamido)phenyl)ethylamino)propyl)phenyl)-N-(2-methoxybenzyl)acetamide
Inchi KeyABUCIAUEIGSSGO-BCHFMIIMSA-N
Inchi IDInChI=1S/C28H35N3O6S/c1-19(29-18-26(33)22-11-12-25(32)24(16-22)31-38(3,35)36)13-20-7-6-8-21(14-20)15-28(34)30-17-23-9-4-5-10-27(23)37-2/h4-12,14,16,19,26,29,31-33H,13,15,17-18H2,1-3H3,(H,30,34)/t19-,26+/m1/s1
PubChem CID11489605
ChEMBLCHEMBL1243256
IUPHARN/A
BindingDB50326552
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1184Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413

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