SEQ2FUN

BioLiP

PDB CCD ID: C4U
Number of entries in BioLiP: 1
Chemical formula: C7 H7 Cl
InChI: InChI=1S/C7H7Cl/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
InChIKey: OSOUNOBYRMOXQQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1cccc(c1)Cl
CACTVS 3.385Cc1cccc(Cl)c1
Name:1-chloranyl-3-methyl-benzene;
1-chloro-3-methylbenzene
ChEMBL: CHEMBL1797289
ZINC: ZINC000001648222
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).