Structure of PDB 1bsx Chain A Binding Site BS02 |
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Ligand ID | T3 |
InChI | InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1 |
InChIKey | AUYYCJSJGJYCDS-LBPRGKRZSA-N |
SMILES | Software | SMILES |
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OpenEye OEToolkits 1.5.0 | c1cc(c(cc1Oc2c(cc(cc2I)CC(C(=O)O)N)I)I)O | CACTVS 3.341 | N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O | ACDLabs 10.04 | O=C(O)C(N)Cc2cc(I)c(Oc1cc(I)c(O)cc1)c(I)c2 | OpenEye OEToolkits 1.5.0 | c1cc(c(cc1Oc2c(cc(cc2I)C[C@@H](C(=O)O)N)I)I)O | CACTVS 3.341 | N[CH](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |
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Formula | C15 H12 I3 N O4 |
Name | 3,5,3'TRIIODOTHYRONINE; T3; THYROID HORMONE; LIOTHYRONINE |
ChEMBL | CHEMBL1544 |
DrugBank | DB00279 |
ZINC | ZINC000003830999
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PDB chain | 1bsx Chain A Residue 1
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Enzyme Commision number |
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