SEQ2FUN

BioLiP

PDB CCD ID: MYJ
Number of entries in BioLiP: 2
Chemical formula: C7 H7 N O3
InChI: InChI=1S/C7H7NO3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9H,1H3
InChIKey: KDQPMQNHVQVVMR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cc(ccc1O)N(=O)=O
CACTVS 3.385Cc1cc(ccc1O)[N](=O)=O
ACDLabs 12.01Cc1c(O)ccc(c1)N(=O)=O
Name:2-methyl-4-nitrophenol
ChEMBL: CHEMBL107610
ZINC: ZINC000025723409
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).