Structure of PDB 4bvw Chain B Binding Site BS01 |
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Ligand ID | HKY |
InChI | InChI=1S/C10H11NO2/c12-10(13)8-1-2-9-6-11-4-3-7(9)5-8/h1-2,5,11H,3-4,6H2,(H,12,13) |
InChIKey | QEMYLDYQDFRTRT-UHFFFAOYSA-N |
SMILES | Software | SMILES |
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CACTVS 3.385 | OC(=O)c1ccc2CNCCc2c1 | OpenEye OEToolkits 1.9.2 | c1cc2c(cc1C(=O)O)CCNC2 | ACDLabs 12.01 | O=C(O)c1ccc2c(c1)CCNC2 |
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Formula | C10 H11 N O2 |
Name | 1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid |
ChEMBL | |
DrugBank | |
ZINC | ZINC000016698348
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PDB chain | 4bvw Chain B Residue 1082
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