Ligand |
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Ligand Name: BCL-1-(R) | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB139 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: [O-][N+](=O)c1ccc(cc1)O[P@@](=O)(CCCCCC)OC[C@H](C)Cc2ccccc2 | ||
Standard InChI: InChI=1S/C22H30NO5P/c1-3-4-5-9-16-29(26,28-22-14-12-21(13-15-22)23(24)25)27-18-19(2)17-20-10-7-6-8-11-20/h6-8,10-15,19H,3-5,9,16-18H2,1-2H3/t19-,29-/m1/s1 | ||
Molecular Formula: C22H30NO5P | Mol. Weight: 419.18616 | logP: 6.6424 |
HBD: 0 | HBA: 5 | |
#Rotatable Bonds: 13 | TPSA: 78.67 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Triacylglycerol lipase | P22088 (LIP_BURCE) | Burkholderia cepacia (Pseudomonas cepacia) | 1YS1 | 2HR |
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