SEQ2FUN

BioLiP

PDB CCD ID: LUU
Number of entries in BioLiP: 1
Chemical formula: C9 H10 N2
InChI: InChI=1S/C9H10N2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,11H,6,10H2
InChIKey: UAYYSAPJTRVEQA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c(cc[nH]2)cc1CN
CACTVS 3.385NCc1ccc2[nH]ccc2c1
Name:1~{H}-indol-5-ylmethanamine
ChEMBL: CHEMBL5093963
ZINC: ZINC000002021900
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).