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

NameCHEMBL589446
Molecular formulaC29H21Cl4N7O2
IUPAC name5-(4-chlorophenyl)-N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-1-(2,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)pyrazole-3-carbohydrazide
Molecular weight641.334
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP6.8
Synonyms4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-chlorophenyl)-N''-(1-(4-chlorophenyl)cyclopropanecarbonyl)-1-(2,4-dichlorophenyl)-1H-pyrazole-3-carbohydrazide
BDBM50309984
Inchi KeyAXWUMKBQZZWDTH-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H21Cl4N7O2/c30-19-5-1-17(2-6-19)26-22(14-39-16-34-15-35-39)25(38-40(26)24-10-9-21(32)13-23(24)33)27(41)36-37-28(42)29(11-12-29)18-3-7-20(31)8-4-18/h1-10,13,15-16H,11-12,14H2,(H,36,41)(H,37,42)
PubChem CID46230572
ChEMBLCHEMBL589446
IUPHARN/A
BindingDB50309984
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
17181Cannabinoid receptor 1P20272Cnr1Rattus norvegicus (Rat)473

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