SEQ2FUN

BioLiP

PDB CCD ID: 2AC
Number of entries in BioLiP: 1
Chemical formula: C7 H9 N O
InChI: InChI=1S/C7H9NO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,8H2,1H3
InChIKey: ZMXYNJXDULEQCK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1ccc(c(c1)N)O
CACTVS 3.341Cc1ccc(O)c(N)c1
ACDLabs 10.04Oc1ccc(cc1N)C
Name:2-AMINO-P-CRESOL
ChEMBL: CHEMBL224282
DrugBank: DB04533
ZINC: ZINC000000388269
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).