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Ligand Download |
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| Ligand Name: PHOSPHOCHOLINE | ||
| HET ID: PC | PubChem: 1014 | |
| DrugBank: DB03945 | ChEMBL: CHEMBL1235161 | |
| Canonical SMILES: OP(=O)(OCC[N+](C)(C)C)O | ||
| Standard InChI: InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1 | ||
| Molecular Formula: C5H15NO4P+ | Mol. Weight: 184.15067 | Heavy Atoms: 11 |
| Charge: 1 | Is Chiral: False | logP: -0.1981 |
| HBD: 2 | HBA: 4 | TPSA: 76.57 |
| #Bonds: 10 | #Rotatable Bonds: 4 | Shape Complexity: 1.0 |
| Stereocomplexity: 0.0 | ||
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
| LN01 light chain | None () | Homo sapiens | 6SND |
- |
- |
SHOW |
| pH 6 antigen | P31522 (PSAA_YERPE) | Yersinia pestis | 4F8N |
- |
- |
SHOW |
| Choline kinase alpha | P35790 (CHKA_HUMAN) | Homo sapiens | 2CKQ |
- |
- |
SHOW |
| Ig heavy chain V region M603 | P01789 (HVM20_MOUSE) | Mus musculus | 2MCP |
- |
- |
SHOW |
| LN01 heavy chain | None () | Homo sapiens | 6SNE |
- |
- |
SHOW |
| Envelope glycoprotein gp160 | None () | Human immunodeficiency virus type 1 group M subtype B | 6SNC |
- |
- |
SHOW |
| Acid sphingomyelinase-like phosphodiesterase 3b | P58242 (ASM3B_MOUSE) | Mus musculus | 5KAS |
- |
- |
SHOW |