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BDBM50421345 E101a::RIBOFLAVIN 5'-PHOSPHATE::Riboflavin 5''-Phosphate

SMILES: Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)c2cc1C

InChI Key: InChIKey=FVTCRASFADXXNN-SCRDCRAPSA-N

Data: 1 Kd

PDB links: 862 PDB IDs match this monomer.

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 = 50421345   
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
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50421345
PNG
(E101a | RIBOFLAVIN 5'-PHOSPHATE | Riboflavin 5''-P...)
Show SMILES Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)c2cc1C
Show InChI InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
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KEGG

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DrugBank
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KEGG
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
n/an/an/a>2.00E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards Escherichia coli chorismate synthase


Bioorg Med Chem Lett 3: 1409-1414 (1993)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)