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

NameAC1NZ11R
Molecular formulaC19H23N3O5S
IUPAC name3-(diethylsulfamoyl)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide
Molecular weight405.469
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP2.2
SynonymsMLS000759728
SMR000369485
N,N-diethyl-3-[[1-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylamino]carbamoyl]benzenesulfonamide
SR-01000033403
CHEMBL1994599
[ Show all ]
Inchi KeyBTSAYBKBDLQAJE-DEDYPNTBSA-N
Inchi IDInChI=1S/C19H23N3O5S/c1-4-22(5-2)28(26,27)16-8-6-7-14(11-16)19(25)21-20-13(3)17-10-9-15(23)12-18(17)24/h6-12,23-24H,4-5H2,1-3H3,(H,21,25)/b20-13+
PubChem CID135520033
ChEMBLCHEMBL1994599
IUPHARN/A
BindingDBN/A
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
558273Thyrotropin-releasing hormone receptorP34981TRHRHomo sapiens (Human)398

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