SEQ2FUN

BioLiP

PDB CCD ID: 4JL
Number of entries in BioLiP: 2
Chemical formula: C7 H7 Cl O
InChI: InChI=1S/C7H7ClO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
InChIKey: PTHGDVCPCZKZKR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OCc1ccc(Cl)cc1
ACDLabs 12.01Clc1ccc(cc1)CO
OpenEye OEToolkits 1.9.2c1cc(ccc1CO)Cl
Name:(4-chlorophenyl)methanol
ChEMBL: CHEMBL1224554
ZINC: ZINC000000157482
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).