diff options
| author | Navan Chauhan <navanchauhan@gmail.com> | 2020-03-13 19:05:29 +0530 |
|---|---|---|
| committer | Navan Chauhan <navanchauhan@gmail.com> | 2020-03-13 19:05:29 +0530 |
| commit | 2bdd550c67324666e6948b3a2daa2a7f45e1cafa (patch) | |
| tree | cb0a71e275ea6169f75e425804477d1be892f0e8 /Docking/Ligands/ChEBI_63638.sdf | |
| parent | 9e9117e74477b548ba0885d7bfd7e187a12b404c (diff) | |
Added ligands, targets and results
Diffstat (limited to 'Docking/Ligands/ChEBI_63638.sdf')
| -rwxr-xr-x | Docking/Ligands/ChEBI_63638.sdf | 92 |
1 files changed, 92 insertions, 0 deletions
diff --git a/Docking/Ligands/ChEBI_63638.sdf b/Docking/Ligands/ChEBI_63638.sdf new file mode 100755 index 0000000..2873bd2 --- /dev/null +++ b/Docking/Ligands/ChEBI_63638.sdf @@ -0,0 +1,92 @@ + +Marvin 01191215362D + + 9 8 0 0 0 0 999 V2000 + 9.0943 -9.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8105 -9.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.3783 -9.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.0978 -10.5947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 10.5265 -9.7616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.6622 -9.7719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.2427 -9.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.9553 -9.7582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 11.2392 -8.5222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 1 3 1 0 0 0 0 + 1 4 1 0 0 0 0 + 2 5 1 0 0 0 0 + 3 6 2 0 0 0 0 + 5 7 1 0 0 0 0 + 7 8 1 0 0 0 0 + 7 9 2 0 0 0 0 +M END +> <ID> +CHEBI:63638 + +> <NAME> +vigabatrin + +> <DEFINITION> +A γ-amino acid having a γ-vinyl GABA structure. It is an irreversible inhibitor of γ-aminobutyric 664 acid transaminase + +> <STAR> +3 + +> <SECONDARY_ID> +CHEBI:9979 + +> <SYNONYM> +GVG; gamma-vinyl-gamma-aminobutyric acid; gamma-vinyl GABA; gamma-vinyl GABA; gamma-Vinyl GABA; 4-Amino-5-hexenoic acid + +> <IUPAC_NAME> +4-aminohex-5-enoic acid + +> <INN> +vigabatrinum; vigabatrine; vigabatrina; vigabatrin + +> <FORMULA> +C6H11NO2 + +> <MASS> +129.15700 + +> <MONOISOTOPIC_MASS> +129.07898 + +> <CHARGE> +0 + +> <SMILES> +NC(CCC(O)=O)C=C + +> <INCHI> +InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9) + +> <INCHIKEY> +PJDFLNIOAUIZSL-UHFFFAOYSA-N + +> <CAS_REGISTRY_NUMBER> +60643-86-9 + +> <CHEMIDPLUS> +60643-86-9 + +> <DRUGBANK_ACCESSION> +DB01080 + +> <KEGG_COMPOUND_ACCESSION> +C07500 + +> <KEGG_DRUG_ACCESSION> +D00535 + +> <LINCS_ACCESSION> +LSM-4959 + +> <WIKIPEDIA_ACCESSION> +Vigabatrin + +> <PUBMED_CITATION> +20018576; 20878340; 20926323; 21361740; 22061177; 22061178; 22061182; 22234618 + +$$$$ |