SEQ2FUN

BioLiP

PDB CCD ID: 2MI
Number of entries in BioLiP: 2
Chemical formula: C9 H9 N
InChI: InChI=1S/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,10H,1H3
InChIKey: BHNHHSOHWZKFOX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1cc2ccccc2[nH]1
CACTVS 3.341Cc1[nH]c2ccccc2c1
ACDLabs 10.04c1cccc2c1cc(n2)C
Name:2-METHYL-1H-INDOLE
ChEMBL: CHEMBL259419
ZINC: ZINC000001088076
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).