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

NameCHEMBL3665377
Molecular formulaC28H29FN4O2
IUPAC name1-(2-cyclobutyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[(5-fluoropyridin-2-yl)methoxy]pyridin-2-one
Molecular weight472.564
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.4
SynonymsBDBM113668
SCHEMBL12927629
US8637501, 72
Inchi KeyADFSGWLFHKOCNT-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H29FN4O2/c1-31-26-6-3-12-32(21-4-2-5-21)17-25(26)24-10-9-22(14-27(24)31)33-13-11-23(15-28(33)34)35-18-20-8-7-19(29)16-30-20/h7-11,13-16,21H,2-6,12,17-18H2,1H3
PubChem CID58093333
ChEMBLCHEMBL3665377
IUPHARN/A
BindingDB113668
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
2237Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422

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