SEQ2FUN

BioLiP

PDB CCD ID: MZG
Number of entries in BioLiP: 2
Chemical formula: C7 H7 Cl O
InChI: InChI=1S/C7H7ClO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3
InChIKey: RHPUJHQBPORFGV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1cc(Cl)ccc1O
ACDLabs 12.01c1cc(cc(C)c1O)Cl
OpenEye OEToolkits 2.0.7Cc1cc(ccc1O)Cl
Name:4-chloro-2-methylphenol
ChEMBL: CHEMBL194121
ZINC: ZINC000000404328
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).