Ligand name: N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide
PDB ligand accession: B49
DrugBank: DB01268
PubChem: 5329102
ChEMBL: CHEMBL535
InChI Key: WINHZLLDWRZWRT-ATVHPVEESA-N
SMILES: CCN(CC)CCNC(=O)c1c(c([nH]c1C)C=C2c3cc(ccc3NC2=O)F)C

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Indoles and derivatives
      • Subclass: Indolines

List of proteins that are targets for DB01268

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P35916_B49	P35916	inhibitor	Ki(nM) = 17.0 IC50(nM) = 8.9 Kd(nM) = 35.0
2	P07333_B49	P07333	inhibitor	IC50(nM) = 12.0 Kd(nM) = 2.0
3	P09619_B49	P09619	inhibitor	Ki(nM) = 8.0 IC50(nM) = 2.0 Kd(nM) = 0.075
4	P15735_B49	P15735	n/a	Kd(nM) = 5.9
5	A5H025_B49	A5H025	n/a
6	Q9H8M2_B49	Q9H8M2	n/a	Kd(nM) = 17000.0
7	Q08881_B49	Q08881	n/a	Kd(nM) = 13.0
8	Q92918_B49	Q92918	n/a	Kd(nM) = 16.0
9	Q9Y6E0_B49	Q9Y6E0	n/a	Kd(nM) = 63.0
10	P16234_B49	P16234	inhibitor	IC50(nM) = 6.9 Kd(nM) = 0.79
11	P10721_B49	P10721	inhibitor	Ki(nM) = 4.0 IC50(nM) = 0.8 Kd(nM) = 0.21
12	Q9NQU5_B49	Q9NQU5	n/a	Ki(nM) = 500.0 Kd(nM) = 2400.0
13	P35968_B49	P35968	inhibitor	Ki(nM) = 2.9 IC50(nM) = 0.4 Kd(nM) = 0.13
14	P36888_B49	P36888	inhibitor	IC50(nM) = 0.7 Kd(nM) = 0.22
15	P17948_B49	P17948	inhibitor	Ki(nM) = 2.0 IC50(nM) = 1.0 Kd(nM) = 1.8
16	P08581_B49	P08581	inhibitor	IC50(nM) = 5000.0 Kd(nM) = 1200.0
17	P24941_B49	P24941	n/a	IC50(nM) = 130000.0 Kd(nM) = 10000.0