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

NameCHEMBL64263
Molecular formulaC25H25NO8
IUPAC name(E)-but-2-enedioic acid;(11E)-11-(2-morpholin-4-ylethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylic acid
Molecular weight467.474
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogPNone
SynonymsN/A
Inchi KeyBJQRQDBCNLZGAL-PGXIONDUSA-N
Inchi IDInChI=1S/C21H21NO4.C4H4O4/c23-21(24)15-5-6-20-19(13-15)18(7-8-22-9-11-25-12-10-22)17-4-2-1-3-16(17)14-26-20;5-3(6)1-2-4(7)8/h1-7,13H,8-12,14H2,(H,23,24);1-2H,(H,5,6)(H,7,8)/b18-7+;2-1+
PubChem CID44305721
ChEMBLCHEMBL64263
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
25378Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488
25377Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417