Serine

Details

Top
Internal ID ee94ffcf-08bf-412d-95a5-eb8a4c683a3f
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Serine and derivatives
IUPAC Name (2S)-2-amino-3-hydroxypropanoic acid
SMILES (Canonical) C(C(C(=O)O)N)O
SMILES (Isomeric) C([C@@H](C(=O)O)N)O
InChI InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
InChI Key MTCFGRXMJLQNBG-REOHCLBHSA-N
Popularity 113,528 references in papers

Physical and Chemical Properties

Top
Molecular Formula C3H7NO3
Molecular Weight 105.09 g/mol
Exact Mass 105.042593085 g/mol
Topological Polar Surface Area (TPSA) 83.60 Ų
XlogP -3.10

Synonyms

Top
serine
56-45-1
(S)-2-Amino-3-hydroxypropanoic acid
(S)-Serine
H-Ser-OH
beta-Hydroxyalanine
L-ser
L-(-)-Serine
(2S)-2-amino-3-hydroxypropanoic acid
Serine, L-
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

Top
2D Structure of Serine

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
CHEMBL1293237 P54132 Bloom syndrome protein 2.5 nM
Potency
via Super-PRED
CHEMBL3356 P05177 Cytochrome P450 1A2 39810.72 nM
AC50
via CMAUP
CHEMBL1293226 B2RXH2 Lysine-specific demethylase 4D-like 39810.7 nM
39810.7 nM
Potency
Potency
via CMAUP
via CMAUP

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL4040 P28482 MAP kinase ERK2 98.11% 83.82%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.52% 96.09%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 85.96% 92.29%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 85.93% 96.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.14% 99.17%

Cross-Links

Top
PubChem 5951
NPASS NPC219143
ChEMBL CHEMBL11298
LOTUS LTS0106692
wikiData Q183290