Ligand name: ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE
PDB ligand accession: I5S
DrugBank: DB07947
InChI Key: AUHWQSZMVMMRLM-UHFFFAOYSA-N
SMILES: c1cc2cnccc2c(c1)S(=O)(=O)NCCNCCOCc3ccc(cc3)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Isoquinolines and derivatives
      • Subclass: None

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P49841

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
P49841	Download	Predicted	P49841_F1_nD1	Protein kinase/SAICAR synthase/ATP-grasp
1GNG		Predicted	e1gngA1 e1gngB1
1H8F		Predicted	e1h8fA1 e1h8fB1
1I09		Predicted	e1i09A1 e1i09B1
1J1B		Predicted	e1j1bB1 e1j1bA1
1J1C		Predicted	e1j1cB1 e1j1cA1
1O9U		Predicted	e1o9uA1
1PYX		Predicted	e1pyxA1 e1pyxB1
1Q3D		Predicted	e1q3dA1 e1q3dB1
1Q3W		Predicted	e1q3wA1 e1q3wB1
1Q41		Predicted	e1q41B1 e1q41A1
1Q4L		Predicted	e1q4lB1 e1q4lA1
1Q5K		Predicted	e1q5kA1 e1q5kB1
1R0E		Predicted	e1r0eB1 e1r0eA1
1UV5		Predicted	e1uv5A1
2JLD		Predicted	e2jldA1 e2jldB1
2O5K		Predicted	e2o5kA1
2OW3		Predicted	e2ow3B1 e2ow3A1
3DU8		Predicted	e3du8A1 e3du8B1
3F7Z		Predicted	e3f7zA1 e3f7zB1
3F88		Predicted	e3f88A1 e3f88B1
3GB2		Predicted	e3gb2A1
3I4B		Predicted	e3i4bA1 e3i4bB1
3L1S		Predicted	e3l1sA1 e3l1sB1
3M1S		Predicted	e3m1sA1 e3m1sB1
3PUP		Predicted	e3pupA1 e3pupB1
3Q3B		Predicted	e3q3bA1 e3q3bB1
3SAY		Predicted	e3sayB2 e3sayA2
3SD0		Predicted	e3sd0A1 e3sd0B1
3ZDI		Predicted	e3zdiA1
3ZRK		Predicted	e3zrkA1 e3zrkB1
3ZRL		Predicted	e3zrlA1 e3zrlB1
3ZRM		Predicted	e3zrmA1 e3zrmB1
4ACC		Predicted	e4accB1 e4accA2
4ACD		Predicted	e4acdA1 e4acdB1
4ACG		Predicted	e4acgA1 e4acgB1
4ACH		Predicted	e4achA1 e4achB1
4AFJ		Predicted	e4afjB2 e4afjA2
4B7T		Predicted	e4b7tA1
4DIT		Predicted	e4ditA1
4IQ6		Predicted	e4iq6B1 e4iq6A1
4J1R		Predicted	e4j1rB2 e4j1rD2 e4j1rA2 e4j1rC2
4J71		Predicted	e4j71A1 e4j71B2
4NM0		Predicted	e4nm0A1
4NM3		Predicted	e4nm3A1
4NM5		Predicted	e4nm5A1
4NM7		Predicted	e4nm7A1
4PTC		Predicted	e4ptcB1 e4ptcA1
4PTE		Predicted	e4pteA1 e4pteB1
4PTG		Predicted	e4ptgA1 e4ptgB1
5F94		Predicted	e5f94A1 e5f94B1
5F95		Predicted	e5f95B1 e5f95A1
5HLN		Predicted	e5hlnA1 e5hlnB1
5HLP		Predicted	e5hlpA1 e5hlpB1
5K5N		Predicted	e5k5nA1 e5k5nB1
5KPK		Predicted	e5kpkA1 e5kpkB1
5KPL		Predicted	e5kplA1 e5kplB1
5KPM		Predicted	e5kpmB1 e5kpmA1
5OY4		Predicted	e5oy4B1 e5oy4A1
5T31		Predicted	e5t31A1 e5t31B1
6B8J		Predicted	e6b8jA1
6GJO		Predicted	e6gjoA1 e6gjoB1
6GN1		Predicted	e6gn1B1 e6gn1A1
6H0U		Predicted	e6h0uA1 e6h0uB1
6HK3		Predicted	e6hk3A1 e6hk3B1
6HK4		Predicted	e6hk4A1 e6hk4B1
6HK7		Predicted	e6hk7A1