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

NameCHEMBL520472
Molecular formulaC25H26Cl3N3O2
IUPAC name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(2-propylpentanoyl)pyrazole-3-carboxamide
Molecular weight506.852
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP8.0
SynonymsSCHEMBL4904128
5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(2-propylpentanoyl)-1H-pyrazole-3-carboxamide
BDBM50277949
Inchi KeyAXNHBIFSEBGKDO-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H26Cl3N3O2/c1-4-6-17(7-5-2)24(32)29-25(33)22-15(3)23(16-8-10-18(26)11-9-16)31(30-22)21-13-12-19(27)14-20(21)28/h8-14,17H,4-7H2,1-3H3,(H,29,32,33)
PubChem CID25158186
ChEMBLCHEMBL520472
IUPHARN/A
BindingDB50277949
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
16890Cannabinoid receptor 1P20272Cnr1Rattus norvegicus (Rat)473

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