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

NameCHEMBL306922
Molecular formulaC34H37N7O4
IUPAC name5-[[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
Molecular weight607.715
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP5.7
SynonymsBDBM50283186
5-[(Benzyl-tert-butoxycarbonyl-amino)-methyl]-2-propyl-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-imidazole-4-carboxylic acid
Inchi KeyANBSWLUPEDDHGK-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H37N7O4/c1-5-11-29-35-28(22-40(33(44)45-34(2,3)4)20-23-12-7-6-8-13-23)30(32(42)43)41(29)21-24-16-18-25(19-17-24)26-14-9-10-15-27(26)31-36-38-39-37-31/h6-10,12-19H,5,11,20-22H2,1-4H3,(H,42,43)(H,36,37,38,39)
PubChem CID44311567
ChEMBLCHEMBL306922
IUPHARN/A
BindingDB50283186
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
9421Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359
9422Type-2 angiotensin II receptorP50052AGTR2Homo sapiens (Human)363

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