SEQ2FUN

BioLiP

PDB CCD ID: K5V
Number of entries in BioLiP: 2
Chemical formula: C6 H7 N O
InChI: InChI=1S/C6H7NO/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2
InChIKey: CWLKGDAVCFYWJK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(cc(c1)O)N
ACDLabs 12.01c1(cc(N)ccc1)O
CACTVS 3.385Nc1cccc(O)c1
Name:3-aminophenol
ChEMBL: CHEMBL269755
ZINC: ZINC000000157527
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).