(2S,3aS,10Z,11aS,12aR)-2-({8-fluoro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-N-[(1-methylcyclopropyl)sulfonyl]-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,13,14-tetradecahydro-12aH-cyclopropa[m]pyrrolo[1,2-c][1,3,6]triazacyclotetradecine-12a-carboxamide
A6N4J4 — Non-structural 3 protease
ECOD Domain Annotations
ECOD domains from AlphaFold model interacting with ligand 39W
| UniProt | DrugBank | PDB Ligand | Domain Label | ECOD ID | X Group | H Group | T Group | F Group |
|---|---|---|---|---|---|---|---|---|
| No predicted ECOD data found | ||||||||
ECOD domains from experimental PDB structures interacting with ligand 39W
| UniProt | DrugBank | PDB ID | Ligand Acc. | Chain | Res No. | Exp. Domain | X Group | H Group | T Group | F Group |
|---|---|---|---|---|---|---|---|---|---|---|
| A6N4J4 | n/a | 4u01 | 39W | A | 301 | e4u01.15 | cradle loop barrel | RIFT-related | FMN-binding split barrel | Peptidase_S29 |
| A6N4J4 | n/a | 4u01 | 39W | A | 301 | e4u01.18 | cradle loop barrel | RIFT-related | FMN-binding split barrel | Peptidase_S29 |
| A6N4J4 | n/a | 4u01 | 39W | B | 301 | e4u01.11 | cradle loop barrel | RIFT-related | FMN-binding split barrel | Peptidase_S29 |
| A6N4J4 | n/a | 4u01 | 39W | B | 301 | e4u01.17 | cradle loop barrel | RIFT-related | FMN-binding split barrel | Peptidase_S29 |
| A6N4J4 | n/a | 4u01 | 39W | C | 301 | e4u01.10 | cradle loop barrel | RIFT-related | FMN-binding split barrel | Peptidase_S29 |
| A6N4J4 | n/a | 4u01 | 39W | C | 301 | e4u01.13 | cradle loop barrel | RIFT-related | FMN-binding split barrel | Peptidase_S29 |
| A6N4J4 | n/a | 4u01 | 39W | D | 301 | e4u01.15 | cradle loop barrel | RIFT-related | FMN-binding split barrel | Peptidase_S29 |
| A6N4J4 | n/a | 4u01 | 39W | D | 301 | e4u01.18 | cradle loop barrel | RIFT-related | FMN-binding split barrel | Peptidase_S29 |
| A6N4J4 | n/a | 4u01 | 39W | E | 301 | e4u01.10 | cradle loop barrel | RIFT-related | FMN-binding split barrel | Peptidase_S29 |
| A6N4J4 | n/a | 4u01 | 39W | E | 301 | e4u01.13 | cradle loop barrel | RIFT-related | FMN-binding split barrel | Peptidase_S29 |
| A6N4J4 | n/a | 4u01 | 39W | F | 301 | e4u01.11 | cradle loop barrel | RIFT-related | FMN-binding split barrel | Peptidase_S29 |
| A6N4J4 | n/a | 4u01 | 39W | F | 301 | e4u01.17 | cradle loop barrel | RIFT-related | FMN-binding split barrel | Peptidase_S29 |
| A6N4J4 | n/a | 4u01 | 39W | G | 301 | e4u01.12 | cradle loop barrel | RIFT-related | FMN-binding split barrel | Peptidase_S29 |
| A6N4J4 | n/a | 4u01 | 39W | H | 301 | e4u01.16 | cradle loop barrel | RIFT-related | FMN-binding split barrel | Peptidase_S29 |
| A6N4J4 | n/a | 4u01 | 39W | J | 301 | e4u01.14 | cradle loop barrel | RIFT-related | FMN-binding split barrel | Peptidase_S29 |