SEQ2FUN

BioLiP

PDB CCD ID: MHD
Number of entries in BioLiP: 2
Chemical formula: C9 H9 N O
InChI: InChI=1S/C9H9NO/c1-10-6-9(11)7-4-2-3-5-8(7)10/h2-6,11H,1H3
InChIKey: CGLJIJABFUYKIL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cn1cc(c2c1cccc2)O
ACDLabs 12.01Oc2c1ccccc1n(c2)C
CACTVS 3.385Cn1cc(O)c2ccccc12
Name:1-methyl-1H-indol-3-ol
ZINC: ZINC000103549803
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).