(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 301
File name: alatis_output_compound.sdf
|
Formula: C10H11N5 Compound mass: 201.22740000000005 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.50
- Compound probability: 0.33
List of identified carbohydrate fragments:
-
C2H4
Fragment probability: 0.50
Fragment mass: 41.0716
Fragment main chain atoms: [1, 2]
Fragment all atoms: [1, 16, 17, 18, 2, 19]
-
C5H8
Fragment probability: 0.40
Fragment mass: 55.098099999999995
Fragment main chain atoms: [2, 3]
Fragment all atoms: [2, 19, 1, 16, 17, 18, 3, 20, 4, 21, 22, 5, 23]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| 301 | 3BW7 |
| HA8 | 3C0P |
| ANE | |
| ADE | 6K2Q 4M1E 3KU0 1OD4 6F3Q 2ICS 1OD2 6F3O 5FAK 1Y26 5U7W 1JYS 4JWT 4L5C 3RL9 3W52 3K9W 5T8K 1Z5N 4PR3 4L6I 2QET 4FBB 3LGS 3V2K 4D8V 5JRE 5F7J 4YMI 6FCI 4FBA 5UZA 4DC2 5ZC7 4TRC 5SWD 3ONE 1LU1 1NLI 1BJQ 2PUE 1S2D 1J1R 1MUD 1Q8Y 1JH8 5F77 1ZN7 5M67 5YW5 3RYS 4LW0 6PO4 1IFS 4TZX 6IF8 4I30 3MRY 4F1W 4OJT 4DAO 3LQV 5Z3I 4BMX 5LVM 5M65 3UJO 5AQI 1D2A 3QUI 2PUB 5ZOC 2QES 4P14 3A7I 1WEI 4L0M 4XNR 4JOS 3NG9 3NM6 1QD2 3KPV 5F7O 4LNA 5B7G 5TDF 2QLU 1XE8 2P8N 4TZY 5ZNQ 3BSF 1QCI 2PQJ 3WAZ 2GA4 1VRL 4QEZ 5SWE 5ZMI 3U70 2H8G 3LE7 3TPV 4NSN 5DK6 6NJA 5W8E 3E9R 4G89 1HQC 3PAO 5DYX 4QAR 2XOY 5VN4 1LPD 3S0S 3U6Z 5VJN 2YED 1YXM 2QTT 1GIU 3S99 1QB7 2XOC 1M2T 4XJ7 4KQF 1Z8D 4XGP 1CB0 5TBS 1WTA 5VJP 1AHA 5CCE |
| ZIP | 3T4J 3S1F 1W1Q 4GY9 3S1E 2EXM |
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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