(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: NLE
File name: alatis_output_compound.sdf
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Formula: C6H13N1O2 Compound mass: 131.17240000000007 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 |
| MK8 | 2M5B 2MYM 2LDA 3V3B 2MYL 2LDC 6F7O 4N7Y 6F7M 2LDD 6F7N 2L6E 5LXM 3TDZ 5ZPW 5Y7W 5ZK5 5DXB 5W8F 5HYR 5XXK 5WGQ 5ZML 5ZJZ 5ZK7 3MK8 2YJA 4U6G 2YQ6 5W89 2YJD 5DXE 5J31 4NHC 4BEA 4NGH 4DJS 6AAW 6KZU 5DX3 4UMN 5WHH 4N5T 5ZK9 |
| DNE | 1R9V 1S1O 5GOB 1S4A 5GOJ 5JBY 5GOD 5X3M 5GOI 5JBV 5X3O 5GOK 5GOC 5J8P 5XDP 5GO8 5GOG 5GO7 5GOH |
| 2JN | 6KZU 4UD7 4UE1 5ZJY 4N7Y |
| NLE | 2N7T 2RMD 2JND 2RME 2RMI 2K9E 2RM9 3IAW 6QAN 2JT9 5MHM 1HD9 4ZZJ 3I2L 2WUH 1S1O 1R9V 3NXN 3NXE 6FJ3 2JX4 2J9J 6QBJ 3IA9 4MZK 4Y84 5YPU 5C3F 6Q5N 6CGW 1R1L 3HLO 1HTH 5US3 3GI0 1S4A 1CFN 2F4K 6D3O 5JIY 3U1I 1Z3M 2M5B 2N7N 4Y8G 6NJ9 2GYP 2O40 4KTY 2M9P 1Z3L 3NWQ 3DCK 3HBO 3G3P 3HZC 3FSM 6NQA 3NYG 3KA2 2JE4 5T0M 2J9K 2M9Q 5W89 6H9O 3JWB 6CHC 1EOL 3DCR 4E83 3HAU 5BOQ 5C3G 2Z2T 2N7O 3NWX 1JB6 1FGL 5M3Z 4OKF 4GZF 5TEG 4HU5 5E8P 3HAW 1D5E 4MZJ 6MON 5JK8 4HU6 2RLN 4GYE 3HDK 4O37 1F3R 3WNH 1YTJ 5W8F 1B7H 5VBL 1MMT 2FP7 6CEN 1WY3 4Y1D 1WY4 4FVT |
| HLX | 4JJE 4JJ7 4JJ8 |
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 Open Babel software package is used in the CTPIC source codes.