SEQ2FUN

BioLiP

PDB CCD ID: A1ALA
Number of entries in BioLiP: 1
Chemical formula: C8 H8 N2
InChI: InChI=1S/C8H8N2/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H,9H2
InChIKey: MIMYTSWNVBMNRH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1ccc2cc[nH]c2c1
ACDLabs 12.01Nc1ccc2cc[NH]c2c1
OpenEye OEToolkits 2.0.7c1cc(cc2c1cc[nH]2)N
Name:1H-indol-6-amine
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).