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

NameNSC697169
Molecular formulaC38H38Cl4N8O2
IUPAC name3-[8-[4-anilino-5-[(2,4-dichlorophenoxy)methyl]-1,2,4-triazol-3-yl]octyl]-5-[(2,4-dichlorophenoxy)methyl]-N-phenyl-1,2,4-triazol-4-amine
Molecular weight780.576
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP11.6
SynonymsN-(3-(8-(4-Anilino-5-((2,4-dichlorophenoxy)methyl)-4H-1,2,4-triazol-3-yl)octyl)-5-((2,4-dichlorophenoxy)methyl)-4H-1,2,4-triazol-4-yl)-N-phenylamine
3-[8-[4-anilino-5-[(2,4-dichlorophenoxy)methyl]-1,2,4-triazol-3-yl]octyl]-5-[(2,4-dichlorophenoxy)methyl]-N-phenyl-1,2,4-triazol-4-amine
NCI60_034638
4H-1,4-Triazol-4-amine, 3,3'-(1,8-octanediyl)bis[5-[(2,4-dichlorophenoxy)methyl]- N-phenyl-
CHEMBL363569
[ Show all ]
Inchi KeyVCMQJXCLTUZMHR-UHFFFAOYSA-N
Inchi IDInChI=1S/C38H38Cl4N8O2/c39-27-19-21-33(31(41)23-27)51-25-37-45-43-35(49(37)47-29-13-7-5-8-14-29)17-11-3-1-2-4-12-18-36-44-46-38(50(36)48-30-15-9-6-10-16-30)26-52-34-22-20-28(40)24-32(34)42/h5-10,13-16,19-24,47-48H,1-4,11-12,17-18,25-26H2
PubChem CID394051
ChEMBLCHEMBL363569
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
351719G-protein coupled receptor 182O15218GPR182Homo sapiens (Human)404

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