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

NameCHEMBL1956429
Molecular formulaC14H18N2OS
IUPAC nameN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methylbutanamide
Molecular weight262.371
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM50365990
ZINC306528
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methylbutanamide
AKOS000505199
Oprea1_473484
[ Show all ]
Inchi KeyDWHGCYTUJJWHCM-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H18N2OS/c1-9(2)7-13(17)16-14-11(8-15)10-5-3-4-6-12(10)18-14/h9H,3-7H2,1-2H3,(H,16,17)
PubChem CID800118
ChEMBLCHEMBL1956429
IUPHARN/A
BindingDB50365990
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
70575Vasoactive intestinal polypeptide receptor 1P30083Vipr1Rattus norvegicus (Rat)459

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