Ligand |
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Ligand Name: SB1453 | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB1348 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: CN1CCN(Cc2ccc(cc2)C(=O)NCc2cccc(COc3ccccc3NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)c2)CC1 | ||
Standard InChI: InChI=1S/C34H34ClN5O5/c1-38-15-17-39(18-16-38)22-24-9-11-27(12-10-24)33(41)36-21-25-5-4-6-26(19-25)23-45-32-8-3-2-7-31(32)37-34(42)29-20-28(40(43)44)13-14-30(29)35/h2-14,19-20H,15-18,21-23H2,1H3,(H,36,41)(H,37,42) | ||
Molecular Formula: C34H34ClN5O5 | Mol. Weight: 627.22485 | logP: 5.7569 |
HBD: 2 | HBA: 7 | |
#Rotatable Bonds: 11 | TPSA: 117.05 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Peroxisome proliferator-activated receptor gamma | P37231 (PPARG_HUMAN) | Homo sapiens (Human) | 5DVC | T53 |
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