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BioLiP

PDB CCD ID: MNP
Number of entries in BioLiP: 9
Chemical formula: C8 H7 N O4
InChI: InChI=1S/C8H7NO4/c10-8(11)5-6-2-1-3-7(4-6)9(12)13/h1-4H,5H2,(H,10,11)
InChIKey: WUKHOVCMWXMOOA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)Cc1cccc(c1)[N+]([O-])=O
OpenEye OEToolkits 1.5.0c1cc(cc(c1)[N+](=O)[O-])CC(=O)O
CACTVS 3.341OC(=O)Cc1cccc(c1)[N+]([O-])=O
Name:2-(3-NITROPHENYL)ACETIC ACID
ChEMBL: CHEMBL139020
DrugBank: DB08193
ZINC: ZINC000000156946
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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