SEQ2FUN

BioLiP

PDB CCD ID: 5MI
Number of entries in BioLiP: 4
Chemical formula: C9 H9 N
InChI: InChI=1S/C9H9N/c1-7-2-3-9-8(6-7)4-5-10-9/h2-6,10H,1H3
InChIKey: YPKBCLZFIYBSHK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2Cc1ccc2c(c1)cc[nH]2
ACDLabs 12.01c1c(ccc2c1ccn2)C
CACTVS 3.385Cc1ccc2[nH]ccc2c1
Name:5-METHYL INDOLE
ChEMBL: CHEMBL112462
ZINC: ZINC000001605250
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).