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

NameCHEMBL352503
Molecular formulaC34H40N4O6S
IUPAC namebutyl N-[2-[4-[[4-oxo-6-(pentanoylamino)-2-propylquinazolin-3-yl]methyl]phenyl]phenyl]sulfonylcarbamate
Molecular weight632.776
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP5.8
SynonymsBDBM50282462
Inchi KeyANLRWKBJZGWBER-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H40N4O6S/c1-4-7-14-32(39)35-26-19-20-29-28(22-26)33(40)38(31(36-29)11-6-3)23-24-15-17-25(18-16-24)27-12-9-10-13-30(27)45(42,43)37-34(41)44-21-8-5-2/h9-10,12-13,15-20,22H,4-8,11,14,21,23H2,1-3H3,(H,35,39)(H,37,41)
PubChem CID44381427
ChEMBLCHEMBL352503
IUPHARN/A
BindingDB50282462
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
9668Type-1 angiotensin II receptorP34976AGTR1Oryctolagus cuniculus (Rabbit)359
9667Type-2 angiotensin II receptorP35351Agtr2Rattus norvegicus (Rat)363

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