(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 4OA
File name: alatis_output_compound.sdf
|
Formula: C24H40O3 Compound mass: 376.571 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.00
- Compound probability: 0.00
List of identified carbohydrate fragments:
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| DHO | |
| 3KL | 3W5Q |
| 4OA | 3F3Y 3W5P 6E48 4Q0A |
| DXC | 2OPX 6Q2T 1E3V 1WB3 4A83 3SJ1 1WB2 4ACA 6OOQ 4QN9 3RV5 4AC9 2BJF 4HC3 1WB1 3SEL 4A81 3SJ4 4HBF 1FM4 3SJ0 2W1B 4ACB 4A84 4HAJ 3DTU 3R9V 1OS6 4ZP0 6EUQ 4HB8 3ZQE 4HB6 3O01 4HDL |
| CHD | 3ABM 5ZCO 6J8M 2DYR 4MK4 5X1B 5Z86 5WAU 2EIM 2PO7 2ZXW 2DYS 3ABK 6JY3 5W97 5IY5 6NKN 2QD5 4KLR 3ASN 3WG7 3ABL 2QD3 3AQI 4KMM 2QD1 6NMF 3EM0 2Y69 2EIJ 5B3S 6NMP 2PO5 1V55 2FT9 2PNJ 2EIK 5XDX 3U88 3AG4 3AG1 4F4D 3ASO 4WG0 2HRC 5X19 2EIN 5XDQ 4F4G 1V54 5X1F 2DQY 2QD4 3X2Q 5Z84 3AG2 2RLC 3W1W 2EIL 1HRK 5B1A 3HCN 3HCP 5B1B 3AG3 2QD2 4KLA 5ZCP 5Y7P 2QO5 3HCO 1TW4 3HCR 5Z85 6KO8 6JY4 3ELZ 3QPS 5ZCQ 1EE2 2QO4 6Q6O 4N16 6IE8 5L8O 1ON5 2QO6 2HRE 1S9Q 2AZY 4PXX 3HGG |
Citation:
- Hesam Dashti, William M. Westler, Jonathan R. Wedell, Olga V. Demler, Hamid R. Eghbalnia, John L. Markley & Samia Mora, Probabilistic identification of saccharide moieties in biomolecules and their protein complexes, Scientific Data volume 7, Article number: 210 (2020), https://doi.org/10.1038/s41597-020-0547-y, https://www.nature.com/articles/s41597-020-0547-y
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- The NetwrokX library is used in the CTPIC source codes.
- The Open Babel software package is used in the CTPIC source codes.