Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER D-I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK D-QUARK DRfold DRfold2 LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO ATGO 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 TCRfinder

TM-score TM-align US-align MM-align RNA-align NW-align LS-align TM-search EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA DeepMSA2 rMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP HPmod 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

NameAbbott-81988
Molecular formulaC23H22N6O2
IUPAC name2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
Molecular weight414.469
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.1
Synonyms3-Pyridinecarboxylic acid, 2-(propyl((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)amino)-
AC1L30WD
D0XK7K
[3H]A81988
141887-34-5
[ Show all ]
Inchi KeyDLMNZGAILMQDHA-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H22N6O2/c1-2-14-29(22-20(23(30)31)8-5-13-24-22)15-16-9-11-17(12-10-16)18-6-3-4-7-19(18)21-25-27-28-26-21/h3-13H,2,14-15H2,1H3,(H,30,31)(H,25,26,27,28)
PubChem CID132387
ChEMBLCHEMBL416477
IUPHAR3938
BindingDB50003154
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
63114Type-1 angiotensin II receptorP34976AGTR1Oryctolagus cuniculus (Rabbit)359
63113Type-1A angiotensin II receptorP25095Agtr1Rattus norvegicus (Rat)359
63112Type-1B angiotensin II receptorP29089Agtr1bRattus norvegicus (Rat)359

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417