SEQ2FUN

BioLiP

PDB CCD ID: C4O
Number of entries in BioLiP: 1
Chemical formula: C7 H7 Cl
InChI: InChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
InChIKey: NPDACUSDTOMAMK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccc(Cl)cc1
OpenEye OEToolkits 2.0.6Cc1ccc(cc1)Cl
Name:1-chloranyl-4-methyl-benzene;
1-chloro-4-methylbenzene
ChEMBL: CHEMBL1797268
ZINC: ZINC000001596323
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).