SEQ2FUN

BioLiP

PDB CCD ID: C3U
Number of entries in BioLiP: 1
Chemical formula: C7 H7 Cl
InChI: InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
InChIKey: IBSQPLPBRSHTTG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		Cc1ccccc1Cl
Name:1-chloranyl-2-methyl-benzene;
1-Chloro-2-methylbenzene
ChEMBL: CHEMBL1797265
ZINC: ZINC000001648221
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).