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

NameCHEMBL1778505
Molecular formulaC23H24N2O3
IUPAC name2-[(7R)-7-[methyl-(2-phenylacetyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
Molecular weight376.456
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.0
SynonymsBDBM50344168
SCHEMBL2188012
{(7R)-7-[methyl(phenylacetyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl}acetic acid
APOZPXDYEILLTC-QGZVFWFLSA-N
(R)-2-(7-(N-methyl-2-phenylacetamido)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetic acid
Inchi KeyAPOZPXDYEILLTC-QGZVFWFLSA-N
Inchi IDInChI=1S/C23H24N2O3/c1-24(22(26)13-16-7-3-2-4-8-16)17-11-12-21-19(14-23(27)28)18-9-5-6-10-20(18)25(21)15-17/h2-10,17H,11-15H2,1H3,(H,27,28)/t17-/m1/s1
PubChem CID54582728
ChEMBLCHEMBL1778505
IUPHARN/A
BindingDB50344168
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
11201Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359
11200Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395
11199Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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