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BioLiP

PDB CCD ID: 2AF
Number of entries in BioLiP: 7
Chemical formula: C6 H7 N O
InChI: InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2
InChIKey: CDAWCLOXVUBKRW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Oc1ccccc1N
OpenEye OEToolkits 1.5.0c1ccc(c(c1)N)O
CACTVS 3.341Nc1ccccc1O
Name:2-AMINOPHENOL
ChEMBL: CHEMBL28319
DrugBank: DB01726
ZINC: ZINC000000157526
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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