Structure of PDB 6otp Chain A Binding Site BS02 |
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Ligand ID | N8A |
InChI | InChI=1S/C14H16N4O4S/c15-23(21,22)11-4-5-13(19)12(9-11)18-14(20)17-8-6-10-3-1-2-7-16-10/h1-5,7,9,19H,6,8H2,(H2,15,21,22)(H2,17,18,20) |
InChIKey | BTQJGTGBPQIYNN-UHFFFAOYSA-N |
SMILES | Software | SMILES |
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CACTVS 3.385 | N[S](=O)(=O)c1ccc(O)c(NC(=O)NCCc2ccccn2)c1 | ACDLabs 12.01 | c1cccnc1CCNC(Nc2cc(ccc2O)S(=O)(=O)N)=O | OpenEye OEToolkits 2.0.7 | c1ccnc(c1)CCNC(=O)Nc2cc(ccc2O)S(=O)(=O)N |
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Formula | C14 H16 N4 O4 S |
Name | 4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide |
ChEMBL | |
DrugBank | |
ZINC |
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PDB chain | 6otp Chain A Residue 302
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