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

Name(S)-4-[2-HYDROXY-3-PHENOXYPROPYLAMINOETHOXY]PHENOXYACETIC ACID HYDROCHLORIDE
Molecular formulaC19H24ClNO6
IUPAC name2-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetic acid;hydrochloride
Molecular weight397.852
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogPNone
SynonymsAKOS024458702
ICI 215,001 hydrochloride
140850-02-8
SCHEMBL2342247
141269-99-0
[ Show all ]
Inchi KeyISFZQNYGEYAUCR-RSAXXLAASA-N
Inchi IDInChI=1S/C19H23NO6.ClH/c21-15(13-25-16-4-2-1-3-5-16)12-20-10-11-24-17-6-8-18(9-7-17)26-14-19(22)23;/h1-9,15,20-21H,10-14H2,(H,22,23);1H/t15-;/m0./s1
PubChem CID56972157
ChEMBLCHEMBL3085150
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
140646Beta-3 adrenergic receptorP26255Adrb3Rattus norvegicus (Rat)400

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