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

NameCHEMBL358121
Molecular formulaC30H30N6O
IUPAC name3-benzyl-6-butyl-2-methyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-4-one
Molecular weight490.611
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.4
SynonymsBDBM50029903
SCHEMBL9848932
3-Benzyl-6-butyl-2-methyl-5-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-pyrimidin-4-one
Inchi KeyHRXWSBDMOYRFOD-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H30N6O/c1-3-4-14-28-27(30(37)36(21(2)31-28)20-23-10-6-5-7-11-23)19-22-15-17-24(18-16-22)25-12-8-9-13-26(25)29-32-34-35-33-29/h5-13,15-18H,3-4,14,19-20H2,1-2H3,(H,32,33,34,35)
PubChem CID10743676
ChEMBLCHEMBL358121
IUPHARN/A
BindingDB50029903
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
122517Type-1 angiotensin II receptorP25104AGTR1Bos taurus (Bovine)359

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