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Ligand Download |
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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 |