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

NameCHEMBL112639
Molecular formulaC10H22NO3P
IUPAC name3-aminopropyl-[2-(oxan-2-yl)ethyl]phosphinic acid
Molecular weight235.264
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP-2.9
Synonyms(3-Amino-propyl)-[2-(tetrahydro-pyran-2-yl)-ethyl]-phosphinic acid
BDBM50032996
Inchi KeyGSXWIKKBXOGELQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C10H22NO3P/c11-6-3-8-15(12,13)9-5-10-4-1-2-7-14-10/h10H,1-9,11H2,(H,12,13)
PubChem CID10466591
ChEMBLCHEMBL112639
IUPHARN/A
BindingDB50032996
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
104565Gamma-aminobutyric acid type B receptor subunit 1Q9Z0U4Gabbr1Rattus norvegicus (Rat)991

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