General
Preferred name
S-MTC
Synonyms
S-METHYL-L-THIOCITRULLINE ACETATE ()
S-MTC (dihydrochloride) ()
S-Methyl-L-thiocitrulline (dihydrochloride) ()
S-methyl-L-thiocitrulline hydrochloride ()
S-methyl-L-Thiocitrulline (hydrochloride) ()
THIOCITRULLINE ()
P&D ID
PD099554
CAS
156719-41-4
156719-39-0
209589-59-3
Tags
available
covalent binder
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
S-MTC (S-Methyl-L-thiocitrulline) dihydrochloride is a selective type I nitric oxide synthase (NOS) inhibitor.
DESCRIPTION
S-methyl-L-thiocitrulline is a potent NOS inhibitor with selectivity for neuronal isoform versus eNOS and iNOS (Ki = 1.2, 11, and 40 nM for nNOS, eNOS, and iNOS, respectively).
(BOC Sciences Bioactive Compounds)
DESCRIPTION
Potent inhibitor of NOS; more potent than L-thiocitrulline
(LOPAC library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
7
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
LOPAC library
Mcule NIBR MoA Box Subset
MedChem Express Bioactive Compound Library
Novartis Chemogenetic Library (NIBR MoA Box)
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
42
Molecular Weight
205.09
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
4
Rotatable Bonds
5
Ring Count
0
Aromatic Ring Count
0
cLogP
0.07
TPSA
99.2
Fraction CSP3
0.71
Chiral centers
1.0
Largest ring
0.0
QED
0.29
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Immunology/Inflammation
Selectivity
NOS
Target
NO Synthase
Member status
member
MOA
Nitric Oxide Synthase Inhibitors
Source data
