SEQ2FUN

BioLiP

PDB CCD ID: 2CH
Number of entries in BioLiP: 11
Chemical formula: C6 H5 Cl O
InChI: InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H
InChIKey: ISPYQTSUDJAMAB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Clc1ccccc1O
OpenEye OEToolkits 1.5.0c1ccc(c(c1)O)Cl
CACTVS 3.341Oc1ccccc1Cl
Name:2-CHLOROPHENOL
ChEMBL: CHEMBL108877
DrugBank: DB03110
ZINC: ZINC000000402767
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).