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

NameCHEMBL538569
Molecular formulaC30H32N4O4
IUPAC nameN-(9-ethylcarbazol-3-yl)-2-[4-(8-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
Molecular weight512.61
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.4
SynonymsCHEMBL1189371
BDBM50163542
N-(9-Ethyl-9H-carbazol-3-yl)-2-[4-(8-methoxy-2-oxo-4H-benzo[d][1,3]oxazin-1-yl)-piperidin-1-yl]-acetamide
Inchi KeyNISQXPDZBAPPBD-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H32N4O4/c1-3-33-25-9-5-4-8-23(25)24-17-21(11-12-26(24)33)31-28(35)18-32-15-13-22(14-16-32)34-29-20(19-38-30(34)36)7-6-10-27(29)37-2/h4-12,17,22H,3,13-16,18-19H2,1-2H3,(H,31,35)
PubChem CID44401578
ChEMBLN/A
IUPHARN/A
BindingDB50163542
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
224377Neuropeptide Y receptor type 5Q63634Npy5rRattus norvegicus (Rat)445

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