SEQ2FUN

BioLiP

PDB CCD ID: 1JN
Number of entries in BioLiP: 2
Chemical formula: C19 H20 N2 O
InChI: InChI=1S/C19H20N2O/c1-13-8-14(6-7-19(13)22-2)11-21-12-20-17-9-15-4-3-5-16(15)10-18(17)21/h6-10,12H,3-5,11H2,1-2H3
InChIKey: RDNGFVHIBLMLSY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1cc(ccc1OC)Cn2cnc3c2cc4c(c3)CCC4
ACDLabs 12.01n3c1c(cc2c(c1)CCC2)n(c3)Cc4ccc(OC)c(c4)C
CACTVS 3.370COc1ccc(Cn2cnc3cc4CCCc4cc23)cc1C
Name:1-(4-methoxy-3-methylbenzyl)-1,5,6,7-tetrahydroindeno[5,6-d]imidazole
ChEMBL: CHEMBL3398261
ZINC: ZINC000098207976
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).