SEQ2FUN

BioLiP

PDB CCD ID: 3CH
Number of entries in BioLiP: 5
Chemical formula: C6 H5 Cl O
InChI: InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H
InChIKey: HORNXRXVQWOLPJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Clc1cc(O)ccc1
OpenEye OEToolkits 1.5.0c1cc(cc(c1)Cl)O
CACTVS 3.341Oc1cccc(Cl)c1
Name:3-CHLOROPHENOL
ChEMBL: CHEMBL41172
DrugBank: DB01957
ZINC: ZINC000000404329
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).