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 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

NameCHEMBL2115407
Molecular formulaC20H25NO7
IUPAC name(Z)-but-2-enedioic acid;1-[2-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]-1-benzofuran-7-yl]ethanone
Molecular weight391.42
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogPNone
SynonymsN/A
Inchi KeyMAWVOAOCAMENMP-FTUYNFQWSA-N
Inchi IDInChI=1S/C16H21NO3.C4H4O4/c1-10(18)12-7-5-6-11-8-14(20-15(11)12)13(19)9-17-16(2,3)4;5-3(6)1-2-4(7)8/h5-8,13,17,19H,9H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t13-;/m0./s1
PubChem CID13500993
ChEMBLCHEMBL2115407
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
201098Beta-1 adrenergic receptorP18090Adrb1Rattus norvegicus (Rat)466
201099Beta-2 adrenergic receptorP10608Adrb2Rattus norvegicus (Rat)418

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