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BDBM39346 (2S)-2-amino-3-mercapto-3-methyl-butyric acid;hydrochloride::(2S)-2-amino-3-mercapto-3-methylbutanoic acid;hydrochloride::(2S)-2-amino-3-methyl-3-sulfanylbutanoic acid;hydrochloride::(2S)-2-azanyl-3-methyl-3-sulfanyl-butanoic acid;hydrochloride::Cuprenil::D(-)PENICILLAMINE HYDROCHLORIDE::Depen::MLS000028669::Penicillamine::SMR000058903::cid_92173

SMILES: CC(C)(S)[C@@H](N)C(O)=O

InChI Key: InChIKey=VVNCNSJFMMFHPL-VKHMYHEASA-N

Data: 4 IC50

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 39346   
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
Genome polyprotein


(West Nile virus)
BDBM39346
PNG
((2S)-2-amino-3-mercapto-3-methyl-butyric acid;hydr...)
Show SMILES CC(C)(S)[C@@H](N)C(O)=O
Show InChI InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m0/s1
PDB
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KEGG

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MCE
KEGG
PC cid
PC sid
PDB
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PCBioAssay
n/an/a 5.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM39346
PNG
((2S)-2-amino-3-mercapto-3-methyl-butyric acid;hydr...)
Show SMILES CC(C)(S)[C@@H](N)C(O)=O
Show InChI InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m0/s1
PDB
MMDB

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KEGG

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antibodypedia
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CHEBI
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MCE
KEGG
PC cid
PC sid
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Article
PubMed
n/an/a 2.70E+5n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of cystathionine gamma-lyase (unknown origin)


ACS Med Chem Lett 8: 1241-1245 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00313
BindingDB Entry DOI: 10.7270/Q2N300GT
More data for this
Ligand-Target Pair
Bile salt export pump (BSEP)


(Homo sapiens (Human))
BDBM39346
PNG
((2S)-2-amino-3-mercapto-3-methyl-butyric acid;hydr...)
Show SMILES CC(C)(S)[C@@H](N)C(O)=O
Show InChI InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m0/s1
PDB

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antibodypedia
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CHEBI
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MCE
KEGG
PC cid
PC sid
PDB
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Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake


Drug Metab Dispos 40: 130-8 (2011)


Article DOI: 10.1124/dmd.111.040758
BindingDB Entry DOI: 10.7270/Q20Z7500
More data for this
Ligand-Target Pair
Bile salt export pump


(Rattus norvegicus)
BDBM39346
PNG
((2S)-2-amino-3-mercapto-3-methyl-butyric acid;hydr...)
Show SMILES CC(C)(S)[C@@H](N)C(O)=O
Show InChI InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m0/s1
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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CHEBI
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
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Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up...


Drug Metab Dispos 40: 130-8 (2011)


Article DOI: 10.1124/dmd.111.040758
BindingDB Entry DOI: 10.7270/Q20Z7500
More data for this
Ligand-Target Pair