Ligand name: (2S,3R,4S,5S)-3,4-Dihydroxy-2-[(methylsulfanyl)methyl]-5-(4-oxo-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidinium
PDB ligand accession: MTI
DrugBank: DB03881
InChI Key: CEGIKIXYDFDYDN-RXDXJJGDSA-O
SMILES: CSCC1C(C(C([NH2+]1)c2c[nH]c3c2N=CNC3=O)O)O
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P00491

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
P00491	Download	Predicted	P00491_F1_nD1	Phosphorylase/hydrolase-like
1M73		Predicted	e1m73E1
1PF7		Predicted	e1pf7E1
1PWY		Predicted	e1pwyE1
1RCT		Predicted	e1rctE1
1RFG		Predicted	e1rfgE1
1RR6		Predicted	e1rr6A1
1RSZ		Predicted	e1rszA1
1RT9		Predicted	e1rt9A1
1ULA		Predicted	e1ulaA1
1ULB		Predicted	e1ulbA1
1V2H		Predicted	e1v2hE1
1V3Q		Predicted	e1v3qE1
1V41		Predicted	e1v41E1
1V45		Predicted	e1v45E1
1YRY		Predicted	e1yryE1
2A0W		Predicted	e2a0wA1
2A0X		Predicted	e2a0xA1
2A0Y		Predicted	e2a0yA1
2OC4		Predicted	e2oc4A1
2OC9		Predicted	e2oc9A1
2ON6		Predicted	e2on6A1
2Q7O		Predicted	e2q7oE1
3BGS		Predicted	e3bgsA1
3D1V		Predicted	e3d1vA1
3GB9		Predicted	e3gb9A1 e3gb9B1 e3gb9C1
3GGS		Predicted	e3ggsA1 e3ggsB1 e3ggsC1
3INY		Predicted	e3inyA1
3K8O		Predicted	e3k8oE1 e3k8oQ1 e3k8oS1 e3k8oT1 e3k8oU1 e3k8oY1
3K8Q		Predicted	e3k8qA1
3PHB		Predicted	e3phbE1 e3phbQ1 e3phbS1 e3phbT1 e3phbU1 e3phbY1
4EAR		Predicted	e4earA1 e4earB1 e4earC1
4EB8		Predicted	e4eb8A1 e4eb8B1 e4eb8C1
4ECE		Predicted	e4eceA1 e4eceB1 e4eceC1 e4eceD1 e4eceE1 e4eceF1
4GKA		Predicted	e4gkaE2 e4gkaF2 e4gkaC2 e4gkaA1 e4gkaB1 e4gkaD1
5ETJ		Predicted	e5etjA1 e5etjB1 e5etjC1 e5etjD1 e5etjE1 e5etjF1
5UGF		Predicted	e5ugfA1 e5ugfB1 e5ugfC1 e5ugfD1 e5ugfE1 e5ugfF1