Ligand

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Ligand Name:   CHOLINE ION
HET ID:   CHT PubChem:   305
DrugBank:   DB00122 ChEMBL:   CHEMBL920
Canonical SMILES:   OCC[N+](C)(C)C
Standard InChI:   InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
Molecular Formula:   C5H14NO+ Mol. Weight:   104.17076 Heavy Atoms:   7
Charge:   1 Is Chiral:   False logP:   -0.3151
HBD:   1 HBA:   1 TPSA:   20.23
#Bonds:   6 #Rotatable Bonds:   2 Shape Complexity:   1.0
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Lysozyme P15057 (LYS_BPCP1) Streptococcus phage Cp-1 1OBA Kd : 3600000.0 nM PDBBind SHOW
Lysozyme P15057 (LYS_BPCP1) Streptococcus phage Cp-1 1OBA Kd : 3600000.0 nM Binding MOAD SHOW
Putative choline ABC transporter, periplasmic solute-binding component Q92N37 (Q92N37_RHIME) Rhizobium meliloti 2REG Kd : 2300.0 nM PDBBind SHOW
Putative choline ABC transporter, periplasmic solute-binding component Q92N37 (Q92N37_RHIME) Rhizobium meliloti 2REG Kd : 2700.0 nM Binding MOAD SHOW
Choline-binding protein Q45462 (OPUBC_BACSU) Bacillus subtilis 3R6U Kd : 30500.0 nM PDBBind SHOW
Choline-binding protein Q45462 (OPUBC_BACSU) Bacillus subtilis 3R6U IC50 : 30500.0 nM Binding MOAD SHOW
Glycine betaine/carnitine/choline-binding protein OpuCC O32243 (OPUCC_BACSU) Bacillus subtilis 3PPQ Kd : 28000.0 nM PDBBind SHOW
Glycine betaine/carnitine/choline-binding protein OpuCC O32243 (OPUCC_BACSU) Bacillus subtilis 3PPQ Kd : 28000.0 nM Binding MOAD SHOW
Choline O-acetyltransferase P28329 (CLAT_HUMAN) Homo sapiens 2FY3 Ki : 400000.0 nM, Ki : 7600000.0 nM BindingDB SHOW
Choline-binding protein F Q8DR52 (Q8DR52_STRR6) Streptococcus pneumoniae 2X8P
-
-
SHOW
Choline-binding protein Q45462 (OPUBC_BACSU) Bacillus subtilis 6EYQ
-
-
SHOW
Betaine aldehyde dehydrogenase, chloroplastic P17202 (BADH_SPIOL) Spinacia oleracea 5A2D
-
-
SHOW
Putative pneumococcal surface protein A0A0H2UP31 (A0A0H2UP31_STRPN) Streptococcus pneumoniae serotype 4 4CNL
-
-
SHOW
Autolysin P06653 (ALYS_STRPN) Streptococcus pneumoniae serotype 4 1H8G
-
-
SHOW
1,4-beta-N-acetylmuramidase Q8DP07 (Q8DP07_STRR6) Streptococcus pneumoniae 2WWC
-
-
SHOW
Autolysin P06653 (ALYS_STRPN) Streptococcus pneumoniae serotype 4 4X36
-
-
SHOW
Choline-binding protein F Q8DR52 (Q8DR52_STRR6) Streptococcus pneumoniae 2V05
-
-
SHOW
Betaine aldehyde dehydrogenase, chloroplastic P17202 (BADH_SPIOL) Spinacia oleracea 4V3F
-
-
SHOW
Autolysin P06653 (ALYS_STRPN) Streptococcus pneumoniae serotype 4 4IWT
-
-
SHOW
Choline-binding protein F Q8DR52 (Q8DR52_STRR6) Streptococcus pneumoniae 2V04
-
-
SHOW
1-phosphatidylinositol phosphodiesterase P45723 (PLC_STAAE) Staphylococcus aureus 4I90
-
-
SHOW
1,4-beta-N-acetylmuramidase Q8DP07 (Q8DP07_STRR6) Streptococcus pneumoniae 2WW5
-
-
SHOW
Choline kinase D0VWT1 (D0VWT1_PLAKN) Plasmodium knowlesi 3C5I
-
-
SHOW
1,4-beta-N-acetylmuramidase Q8DP07 (Q8DP07_STRR6) Streptococcus pneumoniae 2WWD
-
-
SHOW
Choline-binding protein F Q8DR52 (Q8DR52_STRR6) Streptococcus pneumoniae 2X8M
-
-
SHOW
Choline-binding protein F Q8DR52 (Q8DR52_STRR6) Streptococcus pneumoniae 2VYU
-
-
SHOW
Choline kinase Q8DPI4 (Q8DPI4_STRR6) Streptococcus pneumoniae 4R7B
-
-
SHOW
Autolysin P06653 (ALYS_STRPN) Streptococcus pneumoniae serotype 4 1HCX
-
-
SHOW
Transcriptional regulator C7MT25 (C7MT25_SACVD) Saccharomonospora viridis 4KWA
-
-
SHOW
DNA (cytosine-5)-methyltransferase 3B Q9UBC3 (DNM3B_HUMAN) Homo sapiens 5NVO
-
-
SHOW
Choline-sulfatase O69787 (BETC_RHIME) Rhizobium meliloti 6G60
-
-
SHOW
Choline-binding protein F Q8DR52 (Q8DR52_STRR6) Streptococcus pneumoniae 2X8O
-
-
SHOW