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BDBM50186747 (2S)-2-AMINO-4-[(2R,3S)-2,3-DIHYDROXY-3-N-HYDROXYCARBAMOYL-PROPYLMERCAPTO]BUTYRIC ACID::(2S)-2-amino-4-[(2R,3S)-2,3-dihydroxy-3-N-hydroxycarbamoylpropylmercapto]butyric acid::CHEMBL207406

SMILES: N[C@@H](CCSC[C@@H](O)[C@@H](O)C(=O)NO)C(O)=O

InChI Key: InChIKey=PWFBZASPUNGGAM-KVQBGUIXSA-N

Data: 5 KI

PDB links: 1 PDB ID matches 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 = 50186747   
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
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50186747
PNG
((2S)-2-AMINO-4-[(2R,3S)-2,3-DIHYDROXY-3-N-HYDROXYC...)
Show SMILES N[C@@H](CCSC[C@@H](O)[C@@H](O)C(=O)NO)C(O)=O
Show InChI InChI=1S/C8H16N2O6S/c9-4(8(14)15)1-2-17-3-5(11)6(12)7(13)10-16/h4-6,11-12,16H,1-3,9H2,(H,10,13)(H,14,15)/t4-,5+,6+/m0/s1
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
MMDB
PDB
Article
PubMed
720n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of cobalt substituted Bacillus subtilis LuxS


J Med Chem 49: 3003-11 (2006)

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


(Bacillus subtilis)
BDBM50186747
PNG
((2S)-2-AMINO-4-[(2R,3S)-2,3-DIHYDROXY-3-N-HYDROXYC...)
Show SMILES N[C@@H](CCSC[C@@H](O)[C@@H](O)C(=O)NO)C(O)=O
Show InChI InChI=1S/C8H16N2O6S/c9-4(8(14)15)1-2-17-3-5(11)6(12)7(13)10-16/h4-6,11-12,16H,1-3,9H2,(H,10,13)(H,14,15)/t4-,5+,6+/m0/s1
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
MMDB
PDB
Article
PubMed
720n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of ferrous substituted Bacillus subtilis LuxS


J Med Chem 49: 3003-11 (2006)

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


(Escherichia coli (strain K12))
BDBM50186747
PNG
((2S)-2-AMINO-4-[(2R,3S)-2,3-DIHYDROXY-3-N-HYDROXYC...)
Show SMILES N[C@@H](CCSC[C@@H](O)[C@@H](O)C(=O)NO)C(O)=O
Show InChI InChI=1S/C8H16N2O6S/c9-4(8(14)15)1-2-17-3-5(11)6(12)7(13)10-16/h4-6,11-12,16H,1-3,9H2,(H,10,13)(H,14,15)/t4-,5+,6+/m0/s1
PDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
Article
PubMed
3.20E+3n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of cobalt substituted Escherichia coli LuxS


J Med Chem 49: 3003-11 (2006)

More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Vibrio harveyi (strain ATCC BAA-1116 / BB120))
BDBM50186747
PNG
((2S)-2-AMINO-4-[(2R,3S)-2,3-DIHYDROXY-3-N-HYDROXYC...)
Show SMILES N[C@@H](CCSC[C@@H](O)[C@@H](O)C(=O)NO)C(O)=O
Show InChI InChI=1S/C8H16N2O6S/c9-4(8(14)15)1-2-17-3-5(11)6(12)7(13)10-16/h4-6,11-12,16H,1-3,9H2,(H,10,13)(H,14,15)/t4-,5+,6+/m0/s1
SMPDB pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
Article
PubMed
9.70E+3n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of cobalt substituted Vibrio harveyi LuxS


J Med Chem 49: 3003-11 (2006)

More data for this
Ligand-Target Pair
S-ribosylhomocysteine lyase


(Bacillus subtilis)
BDBM50186747
PNG
((2S)-2-AMINO-4-[(2R,3S)-2,3-DIHYDROXY-3-N-HYDROXYC...)
Show SMILES N[C@@H](CCSC[C@@H](O)[C@@H](O)C(=O)NO)C(O)=O
Show InChI InChI=1S/C8H16N2O6S/c9-4(8(14)15)1-2-17-3-5(11)6(12)7(13)10-16/h4-6,11-12,16H,1-3,9H2,(H,10,13)(H,14,15)/t4-,5+,6+/m0/s1
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
MMDB
PDB
Article
PubMed
1.96E+4n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of zinc substituted Bacillus subtilis LuxS


J Med Chem 49: 3003-11 (2006)

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