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 DMFold 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

NameCHEMBL1223179
Molecular formulaC25H18Cl2F3N7S
IUPAC name2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)pyrazol-3-yl]-5-[1-(trifluoromethyl)cyclobutyl]-1,3,4-thiadiazole
Molecular weight576.423
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP6.9
SynonymsBDBM50325228
2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-1H-pyrazol-3-yl)-5-(1-(trifluoromethyl)-cyclobutyl)-1,3,4-thiadiazole
Inchi KeyARYZYLWNMYEBDQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H18Cl2F3N7S/c26-16-8-6-15(7-9-16)21-17(12-36-14-31-13-32-36)20(35-37(21)19-5-2-1-4-18(19)27)22-33-34-23(38-22)24(10-3-11-24)25(28,29)30/h1-2,4-9,13-14H,3,10-12H2
PubChem CID49865310
ChEMBLCHEMBL1223179
IUPHARN/A
BindingDB50325228
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
12922Cannabinoid receptor 1P20272Cnr1Rattus norvegicus (Rat)473

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218