SEQ2FUN

BioLiP

PDB CCD ID: LBJ
Number of entries in BioLiP: 1
Chemical formula: C12 H14 N2 O
InChI: InChI=1S/C12H14N2O/c1-15-8-2-3-11-10(6-8)9-4-5-13-7-12(9)14-11/h2-3,6,13-14H,4-5,7H2,1H3
InChIKey: QYMDEOQLJUUNOF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc2[nH]c3CNCCc3c2c1
OpenEye OEToolkits 2.0.7COc1ccc2c(c1)c3c([nH]2)CNCC3
Name:6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
ChEMBL: CHEMBL266084
ZINC: ZINC000019202437
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).