Structure of PDB 2ylp Chain A Binding Site BS01 |
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Ligand ID | TES |
InChI | InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 |
InChIKey | MUMGGOZAMZWBJJ-DYKIIFRCSA-N |
SMILES | Software | SMILES |
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OpenEye OEToolkits 1.5.0 | CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C | OpenEye OEToolkits 1.5.0 | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C | CACTVS 3.341 | C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O | CACTVS 3.341 | C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1CC[CH]2O | ACDLabs 10.04 | O=C4C=C3C(C2CCC1(C(CCC1O)C2CC3)C)(C)CC4 |
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Formula | C19 H28 O2 |
Name | TESTOSTERONE |
ChEMBL | CHEMBL386630 |
DrugBank | DB00624 |
ZINC | ZINC000118912393
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PDB chain | 2ylp Chain A Residue 1921
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Enzyme Commision number |
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