BindingDB logo
myBDB logout

BDBM50362895 Lactoflavin::RIBOFLAVIN

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

InChI Key: InChIKey=AUNGANRZJHBGPY-SCRDCRAPSA-N

Data: 1 KI  5 IC50  4 Kd

PDB links: 40 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 10 hits for monomerid = 50362895   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Riboflavin-binding protein


(Gallus gallus)
BDBM50362895
PNG
(Lactoflavin | RIBOFLAVIN)
Show SMILES Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C
Show InChI InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 5n/an/an/a7.4n/a



Calvin College

Curated by ChEMBL


Assay Description
Binding affinity to chicken riboflavin binding protein assessed as dissociation constant at pH 7.4 in phosphate buffer by isothermal titration calori...


ACS Med Chem Lett 2: 363-367 (2011)


Article DOI: 10.1021/ml100296z
BindingDB Entry DOI: 10.7270/Q2SX6DP8
More data for this
Ligand-Target Pair
Riboflavin-binding protein


(Gallus gallus)
BDBM50362895
PNG
(Lactoflavin | RIBOFLAVIN)
Show SMILES Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C
Show InChI InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 6.60n/an/an/a7.4n/a



Calvin College

Curated by ChEMBL


Assay Description
Binding affinity to chicken riboflavin binding protein assessed as dissociation constant at pH 7.4 in 0.1 M phosphate buffer by isothermal titration ...


ACS Med Chem Lett 2: 363-367 (2011)


Article DOI: 10.1021/ml100296z
BindingDB Entry DOI: 10.7270/Q2SX6DP8
More data for this
Ligand-Target Pair
Riboflavin-binding protein


(Gallus gallus)
BDBM50362895
PNG
(Lactoflavin | RIBOFLAVIN)
Show SMILES Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C
Show InChI InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 46n/an/an/a4.0n/a



Calvin College

Curated by ChEMBL


Assay Description
Binding affinity to chicken riboflavin binding protein assessed as dissociation constant at pH 4 in 0.1 M NaAc by isothermal titration calorimetric a...


ACS Med Chem Lett 2: 363-367 (2011)


Article DOI: 10.1021/ml100296z
BindingDB Entry DOI: 10.7270/Q2SX6DP8
More data for this
Ligand-Target Pair
Riboflavin-binding protein


(Gallus gallus)
BDBM50362895
PNG
(Lactoflavin | RIBOFLAVIN)
Show SMILES Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C
Show InChI InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 34n/an/an/a9.0n/a



Calvin College

Curated by ChEMBL


Assay Description
Binding affinity to chicken riboflavin binding protein assessed as dissociation constant at pH 9 in 0.1 M Tris by isothermal titration calorimetric a...


ACS Med Chem Lett 2: 363-367 (2011)


Article DOI: 10.1021/ml100296z
BindingDB Entry DOI: 10.7270/Q2SX6DP8
More data for this
Ligand-Target Pair
HSP60/HSP10


(Homo sapiens)
BDBM50362895
PNG
(Lactoflavin | RIBOFLAVIN)
Show SMILES Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C
Show InChI InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset...


Bioorg Med Chem Lett 29: 1106-1112 (2019)


Article DOI: 10.1016/j.bmcl.2019.02.028
More data for this
Ligand-Target Pair
10 kDa chaperonin


(Escherichia coli)
BDBM50362895
PNG
(Lactoflavin | RIBOFLAVIN)
Show SMILES Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C
Show InChI InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...


Bioorg Med Chem Lett 29: 1106-1112 (2019)


Article DOI: 10.1016/j.bmcl.2019.02.028
More data for this
Ligand-Target Pair
10 kDa chaperonin


(Escherichia coli)
BDBM50362895
PNG
(Lactoflavin | RIBOFLAVIN)
Show SMILES Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C
Show InChI InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed a...


Bioorg Med Chem Lett 29: 1106-1112 (2019)


Article DOI: 10.1016/j.bmcl.2019.02.028
More data for this
Ligand-Target Pair
Thiosulfate sulfurtransferase


(Homo sapiens)
BDBM50362895
PNG
(Lactoflavin | RIBOFLAVIN)
Show SMILES Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C
Show InChI InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.80E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...


Bioorg Med Chem Lett 29: 1106-1112 (2019)


Article DOI: 10.1016/j.bmcl.2019.02.028
More data for this
Ligand-Target Pair
60 kDa chaperonin


(Escherichia coli)
BDBM50362895
PNG
(Lactoflavin | RIBOFLAVIN)
Show SMILES Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C
Show InChI InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a>2.50E+5n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli GroEL expressed in Escherichia coliDH5alpha incubated for 60 mins using ATP by spectrometric analys...


Bioorg Med Chem Lett 29: 1106-1112 (2019)


Article DOI: 10.1016/j.bmcl.2019.02.028
More data for this
Ligand-Target Pair
Riboflavin-binding protein


(Gallus gallus)
BDBM50362895
PNG
(Lactoflavin | RIBOFLAVIN)
Show SMILES Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C
Show InChI InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
350n/an/an/an/an/an/an/an/a



Calvin College

Curated by ChEMBL


Assay Description
Competitive inhibition of chicken riboflavin binding protein by surface plasmon resonance assay


ACS Med Chem Lett 2: 363-367 (2011)


Article DOI: 10.1021/ml100296z
BindingDB Entry DOI: 10.7270/Q2SX6DP8
More data for this
Ligand-Target Pair