BindingDB logo
myBDB logout

BDBM50091518 CHEMBL434782::Phosphoric acid (S)-2-amino-5-guanidino-pentyl ester (2R,3S,4R,5R)-5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl ester

SMILES: N[C@@H](CCCNC(N)=[NH2+])COP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12

InChI Key: InChIKey=XYAYHVCXSXJVSY-OPYVMVOTSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50091518   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Arginyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50091518
PNG
(CHEMBL434782 | Phosphoric acid (S)-2-amino-5-guani...)
Show SMILES N[C@@H](CCCNC(N)=[NH2+])COP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C16H28N9O7P/c17-8(2-1-3-21-16(19)20)4-30-33(28,29)31-5-9-11(26)12(27)15(32-9)25-7-24-10-13(18)22-6-23-14(10)25/h6-9,11-12,15,26-27H,1-5,17H2,(H,28,29)(H2,18,22,23)(H4,19,20,21)/t8-,9+,11+,12+,15+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against cognate Staphylococcus aureus Arginyl-tRNA synthetase


Bioorg Med Chem Lett 10: 1871-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00360-7
BindingDB Entry DOI: 10.7270/Q2TX3FWJ
More data for this
Ligand-Target Pair