Ligand name: Pelitinib
PDB ligand accession: 93J
DrugBank: DB05524
InChI Key: WVUNYSQLFKLYNI-AATRIKPKSA-N
SMILES: CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F
Drug action: modulator

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Quinolines and derivatives
      • Subclass: Aminoquinolines and derivatives

List of PDB structures and/or AlphaFold models with target protein P00533

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
P00533	Download	Predicted	P00533_F1_nD3 P00533_F1_nD6 P00533_F1_nD2 P00533_F1_nD1 P00533_F1_nD4	Single-stranded right-handed beta-helix Protein kinase/SAICAR synthase/ATP-grasp EGF-like Single-stranded right-handed beta-helix EGF-like
1IVO		Predicted	e1ivoB1 e1ivoA1 e1ivoA4 e1ivoB3 e1ivoB2 e1ivoA3
1M14		Predicted	e1m14A1
1M17		Predicted	e1m17A1
1MOX		Predicted	e1moxB1 e1moxA3 e1moxA4 e1moxB3 e1moxB2 e1moxA2
1NQL		Predicted	e1nqlA1 e1nqlA2 e1nqlA4 e1nqlA3
1XKK		Predicted	e1xkkA1
1YY9		Predicted	e1yy9A1 e1yy9A2 e1yy9A5 e1yy9A4
1Z9I		Predicted	e1z9iA1
2EB2		Predicted	e2eb2A2
2EB3		Predicted	e2eb3A2
2GS2		Predicted	e2gs2A1
2GS6		Predicted	e2gs6A1
2GS7		Predicted	e2gs7A1 e2gs7B1
2ITN		Predicted	e2itnA2
2ITO		Predicted	e2itoA2
2ITP		Predicted	e2itpA2
2ITQ		Predicted	e2itqA2
2ITT		Predicted	e2ittA2
2ITU		Predicted	e2ituA2
2ITV		Predicted	e2itvA2
2ITW		Predicted	e2itwA1
2ITX		Predicted	e2itxA1
2ITY		Predicted	e2ityA1
2ITZ		Predicted	e2itzA2
2J5E		Predicted	e2j5eA2
2J5F		Predicted	e2j5fA1
2J6M		Predicted	e2j6mA1
2JIT		Predicted	e2jitB2 e2jitA2
2JIU		Predicted	e2jiuA1 e2jiuB1
2JIV		Predicted	e2jivA1 e2jivB1
2M0B		Predicted	e2m0bA1 e2m0bB1
2M20		Predicted	e2m20A1 e2m20B1
2N5S		Predicted	e2n5sA1
2RF9		Predicted	e2rf9B1 e2rf9A1
2RFD		Predicted	e2rfdB1 e2rfdA1
2RFE		Predicted	e2rfeC1 e2rfeA1 e2rfeB1 e2rfeD1
2RGP		Predicted	e2rgpA2
3B2U		Predicted	e3b2uA1 e3b2uV1 e3b2uP1 e3b2uM1 e3b2uB1 e3b2uE1 e3b2uI1 e3b2uS1
3B2V		Predicted	e3b2vA2 e3b2vA3 e3b2vA1
3BEL		Predicted	e3belA2
3C09		Predicted	e3c09A1 e3c09D1
3GOP		Predicted	e3gopA1
3GT8		Predicted	e3gt8B1 e3gt8A1 e3gt8C1 e3gt8D1
3IKA		Predicted	e3ikaA2 e3ikaB2
3LZB		Predicted	e3lzbA1 e3lzbB1 e3lzbC1 e3lzbD1
3NJP		Predicted	e3njpA1 e3njpA2 e3njpB1 e3njpB2 e3njpA4 e3njpB4 e3njpB5 e3njpA3
3P0Y		Predicted	e3p0yA1
3POZ		Predicted	e3pozA1
3QWQ		Predicted	e3qwqA1 e3qwqA2 e3qwqA4 e3qwqA3
3UG1		Predicted	e3ug1A2
3UG2		Predicted	e3ug2A2
3VJN		Predicted	e3vjnA1
3VJO		Predicted	e3vjoA1
3W2O		Predicted	e3w2oA2
3W2P		Predicted	e3w2pA2
3W2Q		Predicted	e3w2qA2
3W2R		Predicted	e3w2rA2
3W2S		Predicted	e3w2sA2
3W32		Predicted	e3w32A1
3W33		Predicted	e3w33A1
4G5J		Predicted	e4g5jA1
4G5P		Predicted	e4g5pA1 e4g5pB2
4HJO		Predicted	e4hjoA1
4I1Z		Predicted	e4i1zA1
4I20		Predicted	e4i20A1
4I21		Predicted	e4i21A1 e4i21B1
4I22		Predicted	e4i22A2
4I23		Predicted	e4i23A1
4I24		Predicted	e4i24B2 e4i24A2
4JQ7		Predicted	e4jq7A1
4JQ8		Predicted	e4jq8A1
4JR3		Predicted	e4jr3A1
4JRV		Predicted	e4jrvA1
4KRL		Predicted	e4krlA1
4KRM		Predicted	e4krmA1 e4krmC1 e4krmE1 e4krmI1 e4krmK1 e4krmG1
4KRO		Predicted	e4kroA2 e4kroA4 e4kroA1 e4kroA3
4KRP		Predicted	e4krpA1 e4krpA4 e4krpA2 e4krpA3
4LI5		Predicted	e4li5A2
4LL0		Predicted	e4ll0A2 e4ll0B1
4LQM		Predicted	e4lqmA1
4LRM		Predicted	e4lrmB1 e4lrmC1 e4lrmE1 e4lrmD1 e4lrmA1
4R3P		Predicted	e4r3pA1
4R3R		Predicted	e4r3rA1
4R5S		Predicted	e4r5sA1
4RIW		Predicted	e4riwD1 e4riwB1
4RIX		Predicted	e4rixB1 e4rixD1
4RIY		Predicted	e4riyB1 e4riyD1
4RJ4		Predicted	e4rj4A1
4RJ5		Predicted	e4rj5A1
4RJ6		Predicted	e4rj6A1
4RJ7		Predicted	e4rj7A1
4RJ8		Predicted	e4rj8A1
4TKS		Predicted	e4tksA1
4UIP		Predicted	e4uipA4 e4uipA1 e4uipA3 e4uipA2
4UV7		Predicted	e4uv7A3 e4uv7A4 e4uv7A1 e4uv7A2
4WD5		Predicted	e4wd5B1 e4wd5A1
4WKQ		Predicted	e4wkqA1
4WRG		Predicted	e4wrgA1
4ZAU		Predicted	e4zauA1
4ZJV		Predicted	e4zjvA1 e4zjvB1
4ZSE		Predicted	e4zseB1 e4zseC1 e4zseD1 e4zseA1
5C8K		Predicted	e5c8kA1
5C8M		Predicted	e5c8mA1
5C8N		Predicted	e5c8nA1
5CAL		Predicted	e5calA1
5CAN		Predicted	e5canA1
5CAO		Predicted	e5caoA1
5CAP		Predicted	e5capA1
5CAQ		Predicted	e5caqA1
5CAS		Predicted	e5casA1
5CAU		Predicted	e5cauA1
5CAV		Predicted	e5cavA1
5CNN		Predicted	e5cnnA1 e5cnnB1
5CNO		Predicted	e5cnoA1 e5cnoB1
5CZH		Predicted	e5czhA1
5CZI		Predicted	e5cziA1
5D41		Predicted	e5d41A1 e5d41B1
5EDP		Predicted	e5edpA1
5EDQ		Predicted	e5edqA1
5EDR		Predicted	e5edrA1
5EM5		Predicted	e5em5A1
5EM6		Predicted	e5em6A1
5EM7		Predicted	e5em7A1
5EM8		Predicted	e5em8A1
5FED		Predicted	e5fedA1
5FEE		Predicted	e5feeA1
5FEQ		Predicted	e5feqA1
5GMP		Predicted	e5gmpA1
5GNK		Predicted	e5gnkA1
5GTY		Predicted	e5gtyD1 e5gtyE1 e5gtyF1 e5gtyC1 e5gtyH1 e5gtyA1 e5gtyB1 e5gtyG1
5GTZ		Predicted	e5gtzA1
5HCX		Predicted	e5hcxA1
5HCY		Predicted	e5hcyA1
5HCZ		Predicted	e5hczA1
5HG5		Predicted	e5hg5A1
5HG7		Predicted	e5hg7A1
5HG8		Predicted	e5hg8A1
5HG9		Predicted	e5hg9A1
5HIB		Predicted	e5hibA1
5HIC		Predicted	e5hicA1
5J9Y		Predicted	e5j9yA1
5J9Z		Predicted	e5j9zA1
5JEB		Predicted	e5jebA1
5LV6		Predicted	e5lv6A1 e5lv6B1
5SX4		Predicted	e5sx4M1 e5sx4N1
5SX5		Predicted	e5sx5M1 e5sx5N1
5U8L		Predicted	e5u8lA1
5UG8		Predicted	e5ug8A1
5UG9		Predicted	e5ug9A1
5UGA		Predicted	e5ugaA1
5UGB		Predicted	e5ugbA1
5UGC		Predicted	e5ugcA1
5UWD		Predicted	e5uwdA1
5WB7		Predicted	e5wb7A1 e5wb7B1 e5wb7C1 e5wb7D3 e5wb7A2 e5wb7B3 e5wb7C2 e5wb7D1 e5wb7A3 e5wb7B2 e5wb7C3 e5wb7D2
5WB8		Predicted	e5wb8A3 e5wb8D1 e5wb8A2 e5wb8D3 e5wb8A1 e5wb8D2
5X26		Predicted	e5x26A1
5X27		Predicted	e5x27A1
5X28		Predicted	e5x28A1
5X2A		Predicted	e5x2aB1 e5x2aC1 e5x2aA1 e5x2aD1
5X2C		Predicted	e5x2cA1 e5x2cB1
5X2F		Predicted	e5x2fA1 e5x2fB1 e5x2fC1 e5x2fD1
5X2K		Predicted	e5x2kA1
5XDK		Predicted	e5xdkA1
5XDL		Predicted	e5xdlA1
5XGM		Predicted	e5xgmA1
5XGN		Predicted	e5xgnB1 e5xgnA1
5XWD		Predicted	e5xwdA3 e5xwdA1 e5xwdA2 e5xwdA4
5Y25		Predicted	e5y25A1
5Y9T		Predicted	e5y9tA1
5YU9		Predicted	e5yu9C1 e5yu9B1 e5yu9A1 e5yu9D1
5ZTO		Predicted	e5ztoA1
5ZWJ		Predicted	e5zwjA1
6ARU		Predicted	e6aruA2 e6aruA1 e6aruA4 e6aruA3
6B3S		Predicted	e6b3sB1 e6b3sE1 e6b3sI1 e6b3sA1
6D8E		Predicted	e6d8eA1
6DUK		Predicted	e6dukE1 e6dukB1 e6dukC1 e6dukF1 e6dukD1 e6dukA1
6JZ0		Predicted	e6jz0A1
6P1D		Predicted	e6p1dA1 e6p1dD1 e6p1dB1 e6p1dC1
6P1L		Predicted	e6p1lA1 e6p1lC1 e6p1lB1 e6p1lD1
6P8Q		Predicted	e6p8qA1 e6p8qB1 e6p8qD1 e6p8qC1
6S89		Predicted	e6s89A1
6S8A		Predicted	e6s8aA1
6S9B		Predicted	e6s9bA1
6S9C		Predicted	e6s9cA1
6S9D		Predicted	e6s9dA1