PDB ligand accession: 2RC
DrugBank: DB12010
InChI Key: GKDRMWXFWHEQQT-UHFFFAOYSA-N
SMILES: CC1(C(=O)N(c2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)COP(=O)(O)O)C
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Aniline and substituted anilines
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name |
---|---|---|---|---|
O76074 | Download | Predicted | O76074_F1_nD3 | PDEase-like |
1RKP | Predicted | e1rkpA1 | ||
1T9R | Predicted | e1t9rA1 | ||
1T9S | Predicted | e1t9sA1 e1t9sB1 | ||
1TBF | Predicted | e1tbfA1 | ||
1UDT | Predicted | e1udtA1 | ||
1UDU | Predicted | e1uduA1 e1uduB1 | ||
1UHO | Predicted | e1uhoA1 | ||
1XOZ | Predicted | e1xozA1 | ||
1XP0 | Predicted | e1xp0A1 | ||
2CHM | Predicted | e2chmA1 | ||
2H40 | Predicted | e2h40A1 | ||
2H42 | Predicted | e2h42C1 e2h42A1 e2h42B1 | ||
2H44 | Predicted | e2h44A1 | ||
2XSS | Predicted | e2xssA1 e2xssB1 | ||
3B2R | Predicted | e3b2rA1 e3b2rB2 | ||
3BJC | Predicted | e3bjcA1 | ||
3HC8 | Predicted | e3hc8A1 | ||
3HDZ | Predicted | e3hdzA1 | ||
3JWQ | Predicted | e3jwqA1 e3jwqB1 e3jwqC1 e3jwqD1 | ||
3JWR | Predicted | e3jwrB1 | ||
3LFV | Predicted | e3lfvA2 e3lfvB1 e3lfvB2 e3lfvA1 | ||
3MF0 | Predicted | e3mf0B1 e3mf0B2 e3mf0A1 e3mf0A2 | ||
3SHY | Predicted | e3shyA1 | ||
3SHZ | Predicted | e3shzA1 | ||
3SIE | Predicted | e3sieA1 e3sieB1 | ||
3TGE | Predicted | e3tgeA1 | ||
3TGG | Predicted | e3tggA1 | ||
4G2W | Predicted | e4g2wA2 | ||
4G2Y | Predicted | e4g2yA1 | ||
4I9Z | Predicted | e4i9zA1 | ||
4IA0 | Predicted | e4ia0A1 | ||
4MD6 | Predicted | e4md6A1 | ||
4OEW | Predicted | e4oewA1 | ||
4OEX | Predicted | e4oexA1 | ||
5JO3 | Predicted | e5jo3B1 | ||
5ZZ2 | Predicted | e5zz2A1 | ||
6ACB | Predicted | e6acbA1 | ||
6IWI | Predicted | e6iwiA1 |