SEQ2FUN

BioLiP

PDB CCD ID: KDY
Number of entries in BioLiP: 2
Chemical formula: C10 H12 N2
InChI: InChI=1S/C10H12N2/c11-6-4-8-2-1-3-10-9(8)5-7-12-10/h1-3,5,7,12H,4,6,11H2
InChIKey: XBARKDQKGSJDLG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(c2cc[nH]c2c1)CCN
CACTVS 3.385NCCc1cccc2[nH]ccc12
ACDLabs 12.01C(Cc2c1ccnc1ccc2)N
Name:2-(1H-indol-4-yl)ethan-1-amine
ZINC: ZINC000011919695
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).