SEQ2FUN

BioLiP

PDB CCD ID: 4ZE
Number of entries in BioLiP: 2
Chemical formula: C7 H9 N O
InChI: InChI=1S/C7H9NO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,8H2,1H3
InChIKey: HDGMAACKJSBLMW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1cc(ccc1O)N
ACDLabs 12.01Oc1ccc(N)cc1C
CACTVS 3.385Cc1cc(N)ccc1O
Name:4-amino-2-methylphenol
ChEMBL: CHEMBL3092391
ZINC: ZINC000001669677
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).