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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-QTZZOOGMNA-N

Data: 1 KI  4 Kd

PDB links: 36 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 5 hits for monomerid = 50362895   
Target
(Institution)
LigandTarget
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
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 |r|
Show InChI InChI=1/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-/s2
SMPDB pathway
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KEGG
PC cid
PC sid
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AffyNet 
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


Citation and Details
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 |r|
Show InChI InChI=1/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-/s2
SMPDB pathway
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PC sid
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AffyNet 
Article
PubMed
n/an/an/a 6.60n/an/an/an/an/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 ...


Citation and Details
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 |r|
Show InChI InChI=1/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-/s2
SMPDB pathway
KEGG

UniProtKB/SwissProt

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KEGG
PC cid
PC sid
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AffyNet 
Article
PubMed
n/an/an/a 34n/an/an/an/an/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...


Citation and Details
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 |r|
Show InChI InChI=1/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-/s2
SMPDB pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
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KEGG
PC cid
PC sid
PDB
UniChem
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SMPDB pathway

Patents


Similars

AffyNet 
Article
PubMed
n/an/an/a 5n/an/an/an/an/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...


Citation and Details
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 |r|
Show InChI InChI=1/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-/s2
SMPDB pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
PDB
UniChem
Reactome pathway
SMPDB pathway

Patents


Similars

AffyNet 
Article
PubMed
n/an/an/a 46n/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair