Ligand
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
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-
SHOW
Lipase 1 P20261 (LIP1_DIURU) Diutina rugosa (Yeast) (Candida rugosa) 1LPS MPC
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-
SHOW