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

NameCHEMBL208726
Molecular formulaC24H29N5O
IUPAC name4-[2-[5-[4-[2-(dimethylamino)ethyl]-1H-indol-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-N,N-dimethylaniline
Molecular weight403.53
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.6
SynonymsBDBM50185579
4-(2-(5-(4-(2-(dimethylamino)ethyl)-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl)ethyl)-N,N-dimethylbenzenamine
Inchi KeyANHAYCHRLRNJNI-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H29N5O/c1-28(2)15-14-18-6-5-7-21-20(18)16-22(25-21)24-26-23(27-30-24)13-10-17-8-11-19(12-9-17)29(3)4/h5-9,11-12,16,25H,10,13-15H2,1-4H3
PubChem CID136043798
ChEMBLCHEMBL208726
IUPHARN/A
BindingDB50185579
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
557552Nociceptin receptorP41146OPRL1Homo sapiens (Human)370

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