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

NameCHEMBL290708
Molecular formulaC45H48N4O6S2
IUPAC namebutyl N-[3-[4-[[6-[benzoyl(benzyl)amino]-4-oxo-2-propylquinazolin-3-yl]methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
Molecular weight805.021
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP9.4
SynonymsBDBM50141056
N-Butyloxycarbonyl-5-isobutyl-3-{4-[6-(N-benzoyl-benzylamino)-4-oxo-2-propyl-4H-quinazolin-3-ylmethyl]phenyl}-thiophene-2-sulfonamide
Inchi KeyCOHIQUMUMWMOJY-UHFFFAOYSA-N
Inchi IDInChI=1S/C45H48N4O6S2/c1-5-7-25-55-45(52)47-57(53,54)44-38(28-37(56-44)26-31(3)4)34-21-19-33(20-22-34)30-49-41(14-6-2)46-40-24-23-36(27-39(40)43(49)51)48(29-32-15-10-8-11-16-32)42(50)35-17-12-9-13-18-35/h8-13,15-24,27-28,31H,5-7,14,25-26,29-30H2,1-4H3,(H,47,52)
PubChem CID11274375
ChEMBLCHEMBL290708
IUPHARN/A
BindingDB50141056
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
46669Type-2 angiotensin II receptorP50052AGTR2Homo sapiens (Human)363

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