Ligand |
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Ligand Name: (1R,2S,5R)‐2‐isopropyl‐5‐methylcyclohexylhexylphosphonochloridate | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB1102 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: CCCCCC[P@@](Cl)(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C | ||
Standard InChI: InChI=1S/C16H32ClO2P/c1-5-6-7-8-11-20(17,18)19-16-12-14(4)9-10-15(16)13(2)3/h13-16H,5-12H2,1-4H3/t14-,15+,16-,20-/m1/s1 | ||
Molecular Formula: C16H32ClO2P | Mol. Weight: 322.18283 | logP: 6.476 |
HBD: 0 | HBA: 2 | |
#Rotatable Bonds: 8 | TPSA: 26.3 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Lipase 1 | P20261 (LIP1_DIURU) | Diutina rugosa (Yeast) (Candida rugosa) | 1LPM | MPA |
- |
- |
SHOW |
Lipase 1 | P20261 (LIP1_DIURU) | Diutina rugosa (Yeast) (Candida rugosa) | 1LPS | MPC |
- |
- |
SHOW |