Ligand |
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| Ligand Name: 1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB189 | PubChem: 23342785 | |
Synonym(s):
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| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: CC(=O)CC(=O)c(c1)ccc(c12)cc(cc2)OC | ||
| Standard InChI: InChI=1S/C15H14O3/c1-10(16)7-15(17)13-4-3-12-9-14(18-2)6-5-11(12)8-13/h3-6,8-9H,7H2,1-2H3 | ||
| Molecular Formula: C15H14O3 | Mol. Weight: 242.0943 | logP: 3.0102 |
| HBD: 0 | HBA: 3 | |
| #Rotatable Bonds: 4 | TPSA: 43.37 | |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
| Steroid Delta-isomerase | P07445 (SDIS_PSEPU) | Pseudomonas putida (Arthrobacter siderocapsulatus) | 4CDL | LLK |
- |
- |
SHOW |
| RETRO-ALDOLASE | None (None) | synthetic construct | 3UD6 | 3NK |
- |
- |
SHOW |
| Indole-3-glycerol phosphate synthase | Q06121 (TRPC_SACS2) | Saccharolobus solfataricus (strain ATCC 35092 / DSM 1617 / JCM 11322 / P2) (Sulfolobus solfataricus) | 4A29 | 3NK |
- |
- |
SHOW |
| Indole-3-glycerol phosphate synthase | Q06121 (TRPC_SACS2) | Saccharolobus solfataricus (strain ATCC 35092 / DSM 1617 / JCM 11322 / P2) (Sulfolobus solfataricus) | 4A2S | 3NK |
- |
- |
SHOW |
| Indole-3-glycerol phosphate synthase | Q06121 (TRPC_SACS2) | Saccharolobus solfataricus (strain ATCC 35092 / DSM 1617 / JCM 11322 / P2) (Sulfolobus solfataricus) | 4A2R | 3NK |
- |
- |
SHOW |