Ligand name: Abrocitinib
PDB ligand accession: D7D
DrugBank: DB14973
InChI Key: IUEWXNHSKRWHDY-PHIMTYICSA-N
SMILES: CCCS(=O)(=O)NC1CC(C1)N(C)c2c3cc[nH]c3ncn2
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrrolopyrimidines
      • Subclass: Pyrrolo[2,3-d]pyrimidines

List of PDB structures and/or AlphaFold models with target protein P29597

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
P29597	Download	Predicted	P29597_F1_nD5	Protein kinase/SAICAR synthase/ATP-grasp
3LXN		Predicted	e3lxnA1
3LXP		Predicted	e3lxpA1
3NYX		Predicted	e3nyxA1
3NZ0		Predicted	e3nz0A1
3ZON		Predicted	e3zonA1
4GFO		Predicted	e4gfoA1
4GIH		Predicted	e4gihA1
4GII		Predicted	e4giiA1
4GJ2		Predicted	e4gj2A1
4GJ3		Predicted	e4gj3A1
4GVJ		Predicted	e4gvjA1
4OLI		Predicted	e4oliA1 e4oliA2
4PO6		Predicted	e4po6A1 e4po6A2 e4po6A3 e4po6A4
4PY1		Predicted	e4py1A1
4WOV		Predicted	e4wovB1 e4wovA1
5C01		Predicted	e5c01A1 e5c01B1
5C03		Predicted	e5c03A1 e5c03B1
5F1Z		Predicted	e5f1zA1
5F20		Predicted	e5f20A1
5TKD		Predicted	e5tkdA1 e5tkdB1
5WAL		Predicted	e5walA1
6AAM		Predicted	e6aamA1
6DBK		Predicted	e6dbkA1
6DBM		Predicted	e6dbmA1
6NZE		Predicted	e6nzeB1 e6nzeA1
6NZF		Predicted	e6nzfB1 e6nzfA1
6NZH		Predicted	e6nzhA1 e6nzhB1
6NZP		Predicted	e6nzpB1 e6nzpA1
6NZQ		Predicted	e6nzqB1 e6nzqA1
6NZR		Predicted	e6nzrB1 e6nzrA1