Structure of PDB 3h3r Chain B Binding Site BS01 |
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Ligand ID | 14H |
InChI | InChI=1S/C24H41NO3/c1-2-3-4-5-6-7-8-9-10-11-15-18-24(28)25-22(20-26)19-23(27)21-16-13-12-14-17-21/h12-14,16-17,22-23,26-27H,2-11,15,18-20H2,1H3,(H,25,28)/t22-,23-/m1/s1 |
InChIKey | MWVNSXPNTJYJDR-DHIUTWEWSA-N |
SMILES | Software | SMILES |
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CACTVS 3.341 | CCCCCCCCCCCCCC(=O)N[CH](CO)C[CH](O)c1ccccc1 | CACTVS 3.341 | CCCCCCCCCCCCCC(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1 | OpenEye OEToolkits 1.5.0 | CCCCCCCCCCCCCC(=O)NC(CC(c1ccccc1)O)CO | ACDLabs 10.04 | O=C(NC(CC(O)c1ccccc1)CO)CCCCCCCCCCCCC | OpenEye OEToolkits 1.5.0 | CCCCCCCCCCCCCC(=O)N[C@H](C[C@H](c1ccccc1)O)CO |
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Formula | C24 H41 N O3 |
Name | N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tetradecanamide |
ChEMBL | CHEMBL123985 |
DrugBank | |
ZINC | ZINC000043362162
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PDB chain | 3h3r Chain B Residue 600
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Enzyme Commision number |
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