SEQ2FUN

BioLiP

PDB CCD ID: QFM
Number of entries in BioLiP: 1
Chemical formula: C10 H11 Cl N2 S
InChI: InChI=1S/C10H11ClN2S/c11-9-4-2-1-3-8(9)7-14-10-12-5-6-13-10/h1-4H,5-7H2,(H,12,13)
InChIKey: MRKZZXDCOQKXGF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C1N=C(NC1)SCc2ccccc2Cl
OpenEye OEToolkits 2.0.7c1ccc(c(c1)CSC2=NCCN2)Cl
CACTVS 3.385Clc1ccccc1CSC2=NCCN2
Name:2-((2-chlorobenzyl)thio)-4,5-dihydro-1H-imidazole;
2-{[(2-chlorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
ChEMBL: CHEMBL1621172
ZINC: ZINC000004323597
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).