SEQ2FUN

BioLiP

PDB CCD ID: 1JT
Number of entries in BioLiP: 10
Chemical formula: C20 H22 N2 O
InChI: InChI=1S/C20H22N2O/c1-14-9-15(7-8-20(14)23-2)12-22-13-21-18-10-16-5-3-4-6-17(16)11-19(18)22/h7-11,13H,3-6,12H2,1-2H3
InChIKey: BBFOREFQNPCWBB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n3c1c(cc2c(c1)CCCC2)n(c3)Cc4ccc(OC)c(c4)C
CACTVS 3.370COc1ccc(Cn2cnc3cc4CCCCc4cc23)cc1C
OpenEye OEToolkits 1.7.6Cc1cc(ccc1OC)Cn2cnc3c2cc4c(c3)CCCC4
Name:1-(4-methoxy-3-methylbenzyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole
ChEMBL: CHEMBL3398262
ZINC: ZINC000098207978
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).