Ligand name: 2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE
PDB ligand accession: P44
DrugBank: DB08353
InChI Key: NCVMTHVSAJMOPI-UHFFFAOYSA-N
SMILES: c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)NCC4CCCCC4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrazolotriazines
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P68400

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
P68400	Download	Predicted	P68400_F1_nD1	Protein kinase/SAICAR synthase/ATP-grasp
1JWH		Predicted	e1jwhB1 e1jwhA1
1NA7		Predicted	e1na7A1
1PJK		Predicted	e1pjkA1
2PVR		Predicted	e2pvrA1
2ZJW		Predicted	e2zjwA1
3AMY		Predicted	e3amyA1
3AT2		Predicted	e3at2A1
3AT3		Predicted	e3at3A1
3AT4		Predicted	e3at4A1
3AXW		Predicted	e3axwA1
3BQC		Predicted	e3bqcA1
3C13		Predicted	e3c13A1
3FWQ		Predicted	e3fwqA1 e3fwqB1
3H30		Predicted	e3h30A1 e3h30B1
3JUH		Predicted	e3juhA1 e3juhB1
3MB6		Predicted	e3mb6A1
3MB7		Predicted	e3mb7A1
3NGA		Predicted	e3ngaA1 e3ngaB1
3NSZ		Predicted	e3nszA1
3OWJ		Predicted	e3owjA1
3OWK		Predicted	e3owkA1
3OWL		Predicted	e3owlA1
3PE1		Predicted	e3pe1A1
3PE2		Predicted	e3pe2A1
3Q04		Predicted	e3q04A1
3Q9W		Predicted	e3q9wA1
3Q9X		Predicted	e3q9xB2 e3q9xA2
3Q9Y		Predicted	e3q9yA1
3Q9Z		Predicted	e3q9zB2 e3q9zA2
3QA0		Predicted	e3qa0A1 e3qa0B2
3R0T		Predicted	e3r0tA1
3RPS		Predicted	e3rpsA1 e3rpsB1
3U4U		Predicted	e3u4uA1
3U87		Predicted	e3u87A1 e3u87B2
3U9C		Predicted	e3u9cA2 e3u9cB2
3W8L		Predicted	e3w8lA1 e3w8lB1
3WAR		Predicted	e3warA1
3WIK		Predicted	e3wikA1
3WIL		Predicted	e3wilA1
3WOW		Predicted	e3wowA1
4DGL		Predicted	e4dglC1 e4dglD2
4FBX		Predicted	e4fbxA2
4GRB		Predicted	e4grbA1
4GUB		Predicted	e4gubA1
4IB5		Predicted	e4ib5C1 e4ib5A1 e4ib5B1
4KWP		Predicted	e4kwpA1
4MD7		Predicted	e4md7E1 e4md7F1 e4md7G1 e4md7H1
4MD8		Predicted	e4md8E1 e4md8F1 e4md8G1 e4md8H1
4MD9		Predicted	e4md9E1 e4md9F1 e4md9G1 e4md9H1 e4md9K1 e4md9L1 e4md9M1 e4md9P1
4NH1		Predicted	e4nh1A1 e4nh1B1
4RLL		Predicted	e4rllA1
4UB7		Predicted	e4ub7A1
4UBA		Predicted	e4ubaA1 e4ubaB1
5B0X		Predicted	e5b0xA1
5CLP		Predicted	e5clpA1 e5clpB1
5CQU		Predicted	e5cquA1
5CQW		Predicted	e5cqwA1 e5cqwB1
5CS6		Predicted	e5cs6A1 e5cs6B1
5CSH		Predicted	e5cshA1 e5cshB1
5CSP		Predicted	e5cspA1
5CSV		Predicted	e5csvA1
5CT0		Predicted	e5ct0A1 e5ct0B1
5CTP		Predicted	e5ctpB1 e5ctpA1
5CU0		Predicted	e5cu0A1 e5cu0B1
5CU2		Predicted	e5cu2A1 e5cu2B1
5CU3		Predicted	e5cu3B1 e5cu3A1
5CU4		Predicted	e5cu4A1
5CU6		Predicted	e5cu6A1
5CVF		Predicted	e5cvfA1
5CVG		Predicted	e5cvgA1
5CVH		Predicted	e5cvhA1 e5cvhB1
5CX9		Predicted	e5cx9A1 e5cx9B1
5H8B		Predicted	e5h8bA1 e5h8bB1
5H8E		Predicted	e5h8eA1 e5h8eB1
5H8G		Predicted	e5h8gA1
5KU8		Predicted	e5ku8A1 e5ku8B1
5KWH		Predicted	e5kwhA1 e5kwhB1
5M44		Predicted	e5m44A1
5M4C		Predicted	e5m4cA1
5M4F		Predicted	e5m4fA1
5M4I		Predicted	e5m4iA1
5MMF		Predicted	e5mmfA1 e5mmfB1
5MMR		Predicted	e5mmrA1 e5mmrB1
5MO5		Predicted	e5mo5B1 e5mo5A1
5MO6		Predicted	e5mo6A1 e5mo6B1
5MO7		Predicted	e5mo7B1 e5mo7A1
5MO8		Predicted	e5mo8B1 e5mo8A1
5MOD		Predicted	e5modB1 e5modA1
5MOE		Predicted	e5moeA1 e5moeB1
5MOH		Predicted	e5mohA1
5MOT		Predicted	e5motA1
5MOV		Predicted	e5movA1
5MOW		Predicted	e5mowB1 e5mowA1
5MP8		Predicted	e5mp8A1 e5mp8B1
5MPJ		Predicted	e5mpjA1 e5mpjB1
5N1V		Predicted	e5n1vA1 e5n1vB1
5N9K		Predicted	e5n9kA1
5N9L		Predicted	e5n9lA1
5N9N		Predicted	e5n9nA1
5NQC		Predicted	e5nqcA1
5OMY		Predicted	e5omyA1
5ONI		Predicted	e5oniA1 e5oniB1
5OQU		Predicted	e5oquB1 e5oquA1
5ORH		Predicted	e5orhB1 e5orhA1
5ORJ		Predicted	e5orjA1 e5orjB1
5ORK		Predicted	e5orkA1 e5orkB1
5OS7		Predicted	e5os7B1 e5os7A1
5OS8		Predicted	e5os8A1
5OSL		Predicted	e5oslA1
5OSP		Predicted	e5ospA1
5OSR		Predicted	e5osrA1
5OSU		Predicted	e5osuA1
5OSZ		Predicted	e5oszA1
5OT5		Predicted	e5ot5A1 e5ot5B1
5OT6		Predicted	e5ot6A1 e5ot6B1
5OTD		Predicted	e5otdB1 e5otdA1
5OTH		Predicted	e5othA1 e5othB1
5OTI		Predicted	e5otiA1
5OTL		Predicted	e5otlB1 e5otlA1
5OTO		Predicted	e5otoB1 e5otoA1
5OTP		Predicted	e5otpA1 e5otpB1
5OTQ		Predicted	e5otqA1
5OTR		Predicted	e5otrA1
5OTS		Predicted	e5otsA1
5OTY		Predicted	e5otyA1
5OTZ		Predicted	e5otzA1
5OUE		Predicted	e5oueA1 e5oueB1
5OUL		Predicted	e5oulA1
5OUM		Predicted	e5oumA1 e5oumB1
5OUU		Predicted	e5ouuB1 e5ouuA1
5OWH		Predicted	e5owhA1
5OWL		Predicted	e5owlA1 e5owlB1
5OYF		Predicted	e5oyfA1
5T1H		Predicted	e5t1hA1 e5t1hB1
5ZN0		Predicted	e5zn0A1
5ZN1		Predicted	e5zn1A1
5ZN2		Predicted	e5zn2A1
5ZN3		Predicted	e5zn3A1
5ZN4		Predicted	e5zn4A1
5ZN5		Predicted	e5zn5A1
6A1C		Predicted	e6a1cA1
6EHK		Predicted	e6ehkA1
6EHU		Predicted	e6ehuA1 e6ehuB1
6EII		Predicted	e6eiiA1 e6eiiB1
6FVF		Predicted	e6fvfA1
6FVG		Predicted	e6fvgA1
6GIH		Predicted	e6gihA1
6GMD		Predicted	e6gmdA1 e6gmdB1
6HBN		Predicted	e6hbnA1 e6hbnB1
6HME		Predicted	e6hmeA1 e6hmeB1
6HNW		Predicted	e6hnwA1
6HNY		Predicted	e6hnyA1
6HOP		Predicted	e6hopA1
6HOQ		Predicted	e6hoqA1
6HOR		Predicted	e6horA1
6HOT		Predicted	e6hotA1
6HOU		Predicted	e6houA1
6JWA		Predicted	e6jwaA1
6Q38		Predicted	e6q38A1
6Q4Q		Predicted	e6q4qA1 e6q4qB1