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

NameCHEMBL378394
Molecular formulaC23H24ClN3O
IUPAC name2-[2-[5-[2-(4-chlorophenyl)ethyl]-1,3-oxazol-2-yl]-1H-indol-4-yl]-N,N-dimethylethanamine
Molecular weight393.915
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.3
SynonymsBDBM50185540
2-(2-(5-(4-chlorophenethyl)oxazol-2-yl)-1H-indol-4-yl)-N,N-dimethylethanamine
Inchi KeyBOOMWXGTPLEZGU-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H24ClN3O/c1-27(2)13-12-17-4-3-5-21-20(17)14-22(26-21)23-25-15-19(28-23)11-8-16-6-9-18(24)10-7-16/h3-7,9-10,14-15,26H,8,11-13H2,1-2H3
PubChem CID44413175
ChEMBLCHEMBL378394
IUPHARN/A
BindingDB50185540
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
28985Nociceptin receptorP41146OPRL1Homo sapiens (Human)370

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