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

NameCHEMBL136465
Molecular formulaC37H37Cl2N5O5S
IUPAC nameN-[2-[4-[[3-butyl-1-[2-chloro-5-(2,2-dimethylpropanoylamino)phenyl]-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-2-chlorobenzamide
Molecular weight734.693
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP7.8
SynonymsBDBM50035438
N-(2-Chlorobenzoyl)-4'-[[3-butyl-5-oxo-1-[2-chloro-5-[(2,2-dimethylpropionyl)amino]phenyl]-1H-1,2,4-triazol-4(5H)-yl]methyl]-1,1'-biphenyl-2-sulfonamide
N-(3-{3-Butyl-4-[2''-(2-chloro-benzoylsulfamoyl)-biphenyl-4-ylmethyl]-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl}-4-chloro-phenyl)-2,2-dimethyl-propionamide
Inchi KeyCZNBLGOPJCQORX-UHFFFAOYSA-N
Inchi IDInChI=1S/C37H37Cl2N5O5S/c1-5-6-15-33-41-44(31-22-26(20-21-30(31)39)40-35(46)37(2,3)4)36(47)43(33)23-24-16-18-25(19-17-24)27-11-8-10-14-32(27)50(48,49)42-34(45)28-12-7-9-13-29(28)38/h7-14,16-22H,5-6,15,23H2,1-4H3,(H,40,46)(H,42,45)
PubChem CID10259395
ChEMBLCHEMBL136465
IUPHARN/A
BindingDB50035438
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
54473Type-1 angiotensin II receptorP34976AGTR1Oryctolagus cuniculus (Rabbit)359
54474Type-2 angiotensin II receptorP35351Agtr2Rattus norvegicus (Rat)363

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