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

NameCHEMBL80773
Molecular formulaC24H24N8O
IUPAC name[5-methyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol
Molecular weight440.511
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.6
SynonymsBDBM50039376
SCHEMBL9309010
{5-Methyl-7-propyl-8-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl}-methanol
Inchi KeyFDZSLDFTMQSCSF-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H24N8O/c1-3-6-21-20(24-26-22(14-33)29-32(24)15(2)25-21)13-16-9-11-17(12-10-16)18-7-4-5-8-19(18)23-27-30-31-28-23/h4-5,7-12,33H,3,6,13-14H2,1-2H3,(H,27,28,30,31)
PubChem CID10388529
ChEMBLCHEMBL80773
IUPHARN/A
BindingDB50039376
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
76054Type-1B angiotensin II receptorP29089Agtr1bRattus norvegicus (Rat)359

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