SEQ2FUN

BioLiP

PDB CCD ID: A1BDU
Number of entries in BioLiP: 2
Chemical formula: C9 H9 N O
InChI: InChI=1S/C9H9NO/c11-6-7-1-2-9-8(5-7)3-4-10-9/h1-5,10-11H,6H2
InChIKey: ZSHFWQNPJMUBQU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1cc2c(cc[nH]2)cc1CO
CACTVS 3.385OCc1ccc2[nH]ccc2c1
ACDLabs 14.52OCc1cc2cc[NH]c2cc1
Name:(1H-indol-5-yl)methanol
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).