Ligand name: Cerulenin
PDB ligand accession: 1X9
DrugBank: DB01034
InChI Key: GVEZIHKRYBHEFX-NQQPLRFYSA-N
SMILES: CC=CCC=CCCC(=O)C1C(O1)C(=O)N
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Epoxides
      • Subclass: Oxirane carboxylic acids and derivatives

List of PDB structures and/or AlphaFold models with target protein P49327

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
P49327	Download	Predicted	P49327_F1_nD3 P49327_F1_nD7 P49327_F1_nD2 P49327_F1_nD11 P49327_F1_nD13 P49327_F1_nD6 P49327_F1_nD1 P49327_F1_nD12 P49327_F1_nD5 P49327_F1_nD14 P49327_F1_nD10 P49327_F1_nD8 P49327_F1_nD4	KS-MAT linker domain in fatty acid synthase Thioesterase/thiol ester dehydrase-isomerase-like Thiolase-like Rossmann-like Cystine-knot cytokines Thioesterase/thiol ester dehydrase-isomerase-like Thiolase-like Rossmann-like Flavodoxin-like alpha/beta-Hydrolases GroES-like Rossmann-like Alpha-beta plaits
1XKT		Predicted	e1xktA1 e1xktB1
2CG5		Predicted	e2cg5B1
2JFD		Predicted	e2jfdC3 e2jfdB3 e2jfdA3 e2jfdD3 e2jfdA4 e2jfdD4 e2jfdB4 e2jfdC4 e2jfdC5 e2jfdB5 e2jfdA5 e2jfdD5
2JFK		Predicted	e2jfkA2 e2jfkD3 e2jfkC3 e2jfkB3 e2jfkD4 e2jfkA3 e2jfkB4 e2jfkC4 e2jfkA1 e2jfkD5 e2jfkC5 e2jfkB5
2PX6		Predicted	e2px6A1 e2px6B1
3HHD		Predicted	e3hhdA2 e3hhdD8 e3hhdC8 e3hhdB8 e3hhdA5 e3hhdB5 e3hhdC5 e3hhdD5 e3hhdA1 e3hhdD6 e3hhdC6 e3hhdB6 e3hhdA4 e3hhdD7 e3hhdC7 e3hhdB7 e3hhdA3 e3hhdD9 e3hhdC9 e3hhdB9
3TJM		Predicted	e3tjmA1
4PIV		Predicted	e4pivA2 e4pivB3 e4pivB1 e4pivA1 e4pivB2 e4pivA3
4W82		Predicted	e4w82B2 e4w82A2 e4w82A1 e4w82B1
4W9N		Predicted	e4w9nB2 e4w9nA2 e4w9nD2 e4w9nC2 e4w9nB1 e4w9nD1 e4w9nC1 e4w9nA1
4Z49		Predicted	e4z49A1 e4z49B1
5C37		Predicted	e5c37C3 e5c37C1 e5c37C4
6NNA		Predicted	e6nnaB2 e6nnaA2 e6nnaB1 e6nnaB3