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

NameCHEMBL526472
Molecular formulaC23H22ClNO3S
IUPAC name5-[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]thiophene-2-carboxylic acid
Molecular weight427.943
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP2.6
SynonymsBDBM50272879
5-((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amino}-5,6,7,8-tetrahydro-2-naphthalenyl)-2-thiophenecarboxylic Acid
Inchi KeyASLXIOZFLLFQLE-PMACEKPBSA-N
Inchi IDInChI=1S/C23H22ClNO3S/c24-18-3-1-2-15(11-18)20(26)13-25-19-7-6-14-4-5-16(10-17(14)12-19)21-8-9-22(29-21)23(27)28/h1-5,8-11,19-20,25-26H,6-7,12-13H2,(H,27,28)/t19-,20-/m0/s1
PubChem CID24950409
ChEMBLCHEMBL526472
IUPHARN/A
BindingDB50272879
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
13272Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
13271Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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