SEQ2FUN

BioLiP

PDB CCD ID: ZCW
Number of entries in BioLiP: 13
Chemical formula: C10 H11 N O
InChI: InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2
InChIKey: MBBOMCVGYCRMEA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370OCCc1c[nH]c2ccccc12
ACDLabs 12.01OCCc2c1ccccc1nc2
OpenEye OEToolkits 1.7.6c1ccc2c(c1)c(c[nH]2)CCO
Name:2-(1H-indol-3-yl)ethanol
ChEMBL: CHEMBL226545
ZINC: ZINC000000003252
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).