SEQ2FUN

BioLiP

PDB CCD ID: UOK
Number of entries in BioLiP: 1
Chemical formula: C11 H10 N2 O
InChI: InChI=1S/C11H10N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4H2,1H3
InChIKey: ZBQCXEREMRGOCO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc2c(c1)c(c[nH]2)CC#N
CACTVS 3.385COc1ccc2[nH]cc(CC#N)c2c1
Name:2-(5-methoxy-1~{H}-indol-3-yl)ethanenitrile
ChEMBL: CHEMBL2377609
ZINC: ZINC000002389515
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).