SEQ2FUN

BioLiP

PDB CCD ID: P9Y
Number of entries in BioLiP: 1
Chemical formula: C12 H13 Cl N2 O
InChI: InChI=1S/C12H13ClN2O/c13-11-2-4-12(5-3-11)16-9-1-7-15-8-6-14-10-15/h2-6,8,10H,1,7,9H2
InChIKey: SKSDKBJVBWKTMH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1OCCCn2ccnc2)Cl
ACDLabs 12.01c1(ccc(cc1)Cl)OCCCn2ccnc2
CACTVS 3.385Clc1ccc(OCCCn2ccnc2)cc1
Name:1-[3-(4-chlorophenoxy)propyl]-1H-imidazole
ChEMBL: CHEMBL2285864
ZINC: ZINC000016662291
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).