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

NameCHEMBL419138
Molecular formulaC20H19Cl3N4O
IUPAC name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N'-propylpyrazole-3-carbohydrazide
Molecular weight437.749
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP6.1
SynonymsBDBM50114687
5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-methyl-1H-pyrazole-3-carboxylic acid N''-propyl-hydrazide
Inchi KeyARUKUAWRYPZUPO-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H19Cl3N4O/c1-3-10-24-25-20(28)18-12(2)19(13-4-6-14(21)7-5-13)27(26-18)17-9-8-15(22)11-16(17)23/h4-9,11,24H,3,10H2,1-2H3,(H,25,28)
PubChem CID11080633
ChEMBLCHEMBL419138
IUPHARN/A
BindingDB50114687
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
12781Cannabinoid receptor 1P20272Cnr1Rattus norvegicus (Rat)473
12782Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360

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