Structure of PDB 7mt5 Chain B Binding Site BS01 |
|
|
Ligand ID | 0JO |
InChI | InChI=1S/C11H13N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3-4,14H,2,5H2,1H3,(H,15,16)(H2,17,18,19)/b13-4+ |
InChIKey | BHIGINKEEFZJGX-YIXHJXPBSA-N |
SMILES | Software | SMILES |
---|
ACDLabs 12.01 | O=P(O)(O)OCc1cnc(c(O)c1/C=N/C(=C)C(=O)O)C | CACTVS 3.370 | Cc1ncc(CO[P](O)(O)=O)c(C=NC(=C)C(O)=O)c1O | OpenEye OEToolkits 1.7.6 | Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(=C)C(=O)O)O | OpenEye OEToolkits 1.7.6 | Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(=C)C(=O)O)O |
|
Formula | C11 H13 N2 O7 P |
Name | 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid |
ChEMBL | |
DrugBank | |
ZINC | ZINC000098207815
|
PDB chain | 7mt5 Chain B Residue 401
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
Enzyme Commision number |
4.2.1.20: tryptophan synthase. |
|
|
|