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

NameCHEMBL73283
Molecular formulaC41H44FN3O7S2
IUPAC name[2-(benzenesulfinyl)phenyl]methyl 5-ethyl-3-[[2-fluoro-4-[2-(3-methylbutoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2-propylimidazole-4-carboxylate
Molecular weight773.935
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP8.7
SynonymsBDBM50283207
Inchi KeyBELHLEZQMOGSQN-UHFFFAOYSA-N
Inchi IDInChI=1S/C41H44FN3O7S2/c1-5-14-38-43-35(6-2)39(40(46)52-27-31-15-10-12-19-36(31)53(48)32-16-8-7-9-17-32)45(38)26-30-22-21-29(25-34(30)42)33-18-11-13-20-37(33)54(49,50)44-41(47)51-24-23-28(3)4/h7-13,15-22,25,28H,5-6,14,23-24,26-27H2,1-4H3,(H,44,47)
PubChem CID44311753
ChEMBLCHEMBL73283
IUPHARN/A
BindingDB50283207
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
21674Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359
21675Type-2 angiotensin II receptorP50052AGTR2Homo sapiens (Human)363

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