SEQ2FUN

BioLiP

PDB CCD ID: 9TT
Number of entries in BioLiP: 2
Chemical formula: C9 H10 N2
InChI: InChI=1S/C9H10N2/c1-11-5-4-7-6-8(10)2-3-9(7)11/h2-6H,10H2,1H3
InChIKey: PGTSGPCXPIFQEL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1ccc2cc(N)ccc12
OpenEye OEToolkits 2.0.6Cn1ccc2c1ccc(c2)N
Name:1-methylindol-5-amine
ChEMBL: CHEMBL4216063
ZINC: ZINC000002512959
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).