SEQ2FUN

BioLiP

PDB CCD ID: 7ZC
Number of entries in BioLiP: 11
Chemical formula: C12 H16 N2 O
InChI: InChI=1S/C12H16N2O/c1-14(2)8-9-7-13-12-5-4-10(15-3)6-11(9)12/h4-7,13H,8H2,1-3H3
InChIKey: GOERTRUXQHDLHC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CN(C)Cc1c[nH]c2c1cc(cc2)OC
CACTVS 3.385COc1ccc2[nH]cc(CN(C)C)c2c1
Name:1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine
ChEMBL: CHEMBL3769622
ZINC: ZINC000000057161
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).