PDB ligand accession: A81
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: ZXUYYFPIPVTPJS-UHFFFAOYSA-N
SMILES: C1=C(C=NC2=C(C(=O)NN21)Br)c3c(c(n[nH]3)C4=CN5C(=C(C(=O)N5)Br)N=C4)[N+](=O)[O-]
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyrazolopyrimidines
- Subclass: Pyrazolo[1,5-a]pyrimidines
- Class: Pyrazolopyrimidines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5WEP | Download | Experimental | e5wepA1 e5wepB1 e5wepA2 e5wepB2 | Glyoxalase/Bleomycin resistance protein/Dihydroxybiphenyl dioxygenase Glyoxalase/Bleomycin resistance protein/Dihydroxybiphenyl dioxygenase Glyoxalase/Bleomycin resistance protein/Dihydroxybiphenyl dioxygenase Glyoxalase/Bleomycin resistance protein/Dihydroxybiphenyl dioxygenase | LigPlot |