Medvedev Lab DrugDomain Protein List Small Molecules Download GitHub
Ligand name: Alisertib
PDB ligand accession: A5B
DrugBank: DB05220
InChI Key: ZLHFILGSQDJULK-UHFFFAOYSA-N
SMILES: COc1cccc(c1C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(c(c5)OC)C(=O)O)F
Drug action: inhibitor

ClassyFire chemical classification:

List of PDB structures and/or AlphaFold models with target protein O14965

PDB/AF Accession PyMOL script Experimental / Predicted Interacting ECOD domains ECOD X-group name
O14965 Download Predicted O14965_F1_nD1
 Protein kinase/SAICAR synthase/ATP-grasp
1MQ4   Predicted e1mq4A1
  
1MUO   Predicted e1muoA1
  
1OL5   Predicted e1ol5A1
  
1OL6   Predicted e1ol6A1
  
1OL7   Predicted e1ol7A1
  
2BMC   Predicted e2bmcA1
e2bmcD1
e2bmcE1
e2bmcB1
e2bmcC1
e2bmcF1
  
2C6D   Predicted e2c6dA1
  
2C6E   Predicted e2c6eA1
e2c6eB1
  
2DWB   Predicted e2dwbA1
  
2J4Z   Predicted e2j4zA1
e2j4zB1
  
2J50   Predicted e2j50A1
e2j50B1
  
2NP8   Predicted e2np8A1
  
2W1C   Predicted e2w1cA1
  
2W1D   Predicted e2w1dA1
  
2W1E   Predicted e2w1eA1
  
2W1F   Predicted e2w1fA1
  
2W1G   Predicted e2w1gA1
  
2WQE   Predicted e2wqeA1
  
2WTV   Predicted e2wtvA1
e2wtvD1
e2wtvB1
e2wtvC1
  
2WTW   Predicted e2wtwA1
  
2X6D   Predicted e2x6dA1
  
2X6E   Predicted e2x6eA1
  
2X81   Predicted e2x81A1
  
2XNE   Predicted e2xneA2
  
2XNG   Predicted e2xngA1
  
2XRU   Predicted e2xruA1
  
3COH   Predicted e3cohA1
e3cohB1
  
3E5A   Predicted e3e5aA1
  
3EFW   Predicted e3efwA1
e3efwB1
  
3FDN   Predicted e3fdnA1
  
3H0Y   Predicted e3h0yA1
  
3H0Z   Predicted e3h0zA1
e3h0zB1
e3h0zC1
  
3H10   Predicted e3h10D1
e3h10A1
e3h10B1
  
3HA6   Predicted e3ha6A1
  
3K5U   Predicted e3k5uA1
  
3LAU   Predicted e3lauA1
  
3M11   Predicted e3m11A1
  
3MYG   Predicted e3mygA1
  
3NRM   Predicted e3nrmA1
  
3O50   Predicted e3o50B1
e3o50A1
  
3O51   Predicted e3o51A1
  
3P9J   Predicted e3p9jA1
  
3QBN   Predicted e3qbnA1
  
3R21   Predicted e3r21A1
  
3R22   Predicted e3r22A1
  
3UNZ   Predicted e3unzA1
e3unzB2
  
3UO4   Predicted e3uo4A2
  
3UO5   Predicted e3uo5A2
  
3UO6   Predicted e3uo6A2
e3uo6B2
  
3UOD   Predicted e3uodA2
  
3UOH   Predicted e3uohB2
e3uohA2
  
3UOJ   Predicted e3uojB2
e3uojA2
  
3UOK   Predicted e3uokB2
e3uokA2
  
3UOL   Predicted e3uolA2
e3uolB2
  
3UP2   Predicted e3up2A2
  
3UP7   Predicted e3up7A2
  
3VAP   Predicted e3vapA1
  
3W10   Predicted e3w10A1
  
3W16   Predicted e3w16A1
  
3W18   Predicted e3w18B1
e3w18A1
  
3W2C   Predicted e3w2cA1
e3w2cC1
e3w2cE1
e3w2cG1
  
4B0G   Predicted e4b0gA1
  
4BN1   Predicted e4bn1A1
  
4BYI   Predicted e4byiA1
  
4BYJ   Predicted e4byjA1
  
4C3P   Predicted e4c3pD1
e4c3pA1
  
4C3R   Predicted e4c3rA1
  
4CEG   Predicted e4cegA1
  
4DEA   Predicted e4deaA1
  
4DEB   Predicted e4debA2
  
4DED   Predicted e4dedA2
  
4DEE   Predicted e4deeA2
  
4DHF   Predicted e4dhfA1
e4dhfB2
  
4J8M   Predicted e4j8mA1
  
4J8N   Predicted e4j8nA1
e4j8nB1
e4j8nC1
e4j8nD1
  
4JAI   Predicted e4jaiA1
  
4JAJ   Predicted e4jajA1
  
4JBO   Predicted e4jboA1
  
4JBP   Predicted e4jbpA2
  
4JBQ   Predicted e4jbqA2
  
4O0S   Predicted e4o0sA1
  
4O0U   Predicted e4o0uA1
  
4O0W   Predicted e4o0wA1
  
4PRJ   Predicted e4prjA1
  
4UYN   Predicted e4uynA1
  
4UZD   Predicted e4uzdA1
e4uzdB1
  
4UZH   Predicted e4uzhA1
  
4ZS0   Predicted e4zs0A1
  
4ZTQ   Predicted e4ztqA1
  
4ZTR   Predicted e4ztrA1
  
4ZTS   Predicted e4ztsA1
  
5AAD   Predicted e5aadA1
  
5AAE   Predicted e5aaeA1
  
5AAF   Predicted e5aafA1
  
5AAG   Predicted e5aagA1
  
5DN3   Predicted e5dn3A1
  
5DNR   Predicted e5dnrA1
  
5DOS   Predicted e5dosA1
  
5DPV   Predicted e5dpvA1
  
5DR2   Predicted e5dr2A1
  
5DR6   Predicted e5dr6A1
  
5DR9   Predicted e5dr9A1
  
5DRD   Predicted e5drdA1
  
5DT0   Predicted e5dt0A1
  
5DT3   Predicted e5dt3A1
  
5DT4   Predicted e5dt4A1
  
5EW9   Predicted e5ew9A1
  
5G15   Predicted e5g15A1
  
5G1X   Predicted e5g1xA1
  
5L8J   Predicted e5l8jA1
  
5L8K   Predicted e5l8kA1
  
5L8L   Predicted e5l8lA1
  
5LXM   Predicted e5lxmA1
  
5OBJ   Predicted e5objA1
  
5OBR   Predicted e5obrA1
  
5ODT   Predicted e5odtA1
  
5ONE   Predicted e5oneA1
  
5ORL   Predicted e5orlA1
  
5ORN   Predicted e5ornA1
  
5ORO   Predicted e5oroA1
  
5ORP   Predicted e5orpA1
  
5ORR   Predicted e5orrA1
  
5ORS   Predicted e5orsA1
  
5ORT   Predicted e5ortA1
  
5ORV   Predicted e5orvA1
  
5ORW   Predicted e5orwA1
  
5ORX   Predicted e5orxA1
  
5ORY   Predicted e5oryA1
  
5ORZ   Predicted e5orzA1
  
5OS0   Predicted e5os0A1
  
5OS1   Predicted e5os1A1
  
5OS2   Predicted e5os2A1
  
5OS3   Predicted e5os3A1
  
5OS4   Predicted e5os4A1
  
5OS5   Predicted e5os5A1
  
5OS6   Predicted e5os6A1
  
5OSD   Predicted e5osdA1
  
5OSE   Predicted e5oseA1
  
5OSF   Predicted e5osfA1
  
5ZAN   Predicted e5zanA1
  
6C2R   Predicted e6c2rA1
  
6C2T   Predicted e6c2tA1
  
6C83   Predicted e6c83A1
e6c83B1
  
6CPE   Predicted e6cpeA1
  
6CPF   Predicted e6cpfA1
  
6CPG   Predicted e6cpgD1
e6cpgA1
  
6GRA   Predicted e6graA1
  
6HJJ   Predicted e6hjjA1
  
6HJK   Predicted e6hjkA1
  
6I2U   Predicted e6i2uA1
  
6R49   Predicted e6r49A1
  
6R4A   Predicted e6r4aA1
  
6R4B   Predicted e6r4bA1
  
6R4C   Predicted e6r4cA1
  
6R4D   Predicted e6r4dA1