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| threshold chemical similarty (tanimoto coefficient) |
[0.5] [0.6] [0.7] [0.8] [0.9] [1.0] | max number of compounds | [1] [5] [10] [20] [30] [40] [50] |
| compound | similarity | compound | similarity | compound | similarity | compound | similarity | compound | similarity |
| query [2D] [3D] |
*** | XMO | 1.000 | 16B | 0.731 | 48C | 0.731 | 7OK | 0.731 |
| U56 | 0.708 | 7K8 | 0.692 | NOH | 0.692 | 48O | 0.679 | B8T | 0.667 |
| BQO | 0.667 |
| Nrank | Protein | Nresidue | pdb_id+asym_id |
| 1 | BGAT_HUMAN Histo-blood group ABO system transferase | 281 |
[48C]: 4y64_A_C
[48O]: 4y63_A_C
|
| 2 | Q9Y052_CAEEL Thymidylate synthase | 289 |
[NOH]: 4psg_A_C
[NOH]: 4psg_A_D
[NOH]: 4psg_B_C
[NOH]: 4psg_B_D
|
| 3 | Q9NDD3_TRISP Thymidylate synthase | 287 |
[7K8]: 5m4z_A_C
[7K8]: 5m4z_A_G
[7K8]: 5m4z_B_C
[7K8]: 5m4z_B_G
|
| 4 | UMPS_HUMAN Uridine 5'-monophosphate synthase | 256 |
[16B]: 4hib_A_F
[16B]: 4hib_A_G
[16B]: 4hib_B_F
[16B]: 4hib_B_G
|
| 5 | TYSY_MOUSE Thymidylate synthase | 283 |
[NOH]: 4ein_A_C
[NOH]: 4ein_A_D
[NOH]: 4ein_B_C
[NOH]: 4ein_B_D
[NOH]: 4ez8_A_B
[NOH]: 4ez8_A_B
[NOH]: 4ez8_A_B
[NOH]: 4ez8_A_B
[NOH]: 6f6z_A_C
[NOH]: 6f6z_A_E
[NOH]: 6f6z_B_C
[NOH]: 6f6z_B_E
|
| 6 | F1MGR1_BOVIN Sodium/nucleoside cotransporter | 533 |
[XMO]: 8tz7_A_D
[XMO]: 8tz7_B_F
[XMO]: 8tz7_C_H
[XMO]: 8tz8_A_D
[XMO]: 8tz8_B_F
[XMO]: 8tz8_C_G
[XMO]: 8tz9_A_D
[XMO]: 8tz9_B_E
[XMO]: 8tz9_C_F
[XMO]: 8tza_A_D
[XMO]: 8tza_B_E
[XMO]: 8tza_C_F
[XMO]: 8tzd_A_D
[XMO]: 8tzd_B_D
[XMO]: 8tzd_B_F
[XMO]: 8tzd_C_G
[U56]: 8tz5_A_D
[U56]: 8tz5_B_J
[U56]: 8tz5_C_P
|