SEQ2FUN

BioLiP

PDB CCD ID: 22R
Number of entries in BioLiP: 0
Chemical formula: C17 H18 N2
InChI: InChI=1S/C17H18N2/c1-12-15(9-10-18)16-11-14(7-8-17(16)19-12)13-5-3-2-4-6-13/h2-8,11,19H,9-10,18H2,1H3
InChIKey: RTQDHEDMMHPAFT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1[nH]c2ccc(cc2c1CCN)c3ccccc3
OpenEye OEToolkits 2.0.7Cc1c(c2cc(ccc2[nH]1)c3ccccc3)CCN
Name:2-(2-methyl-5-phenyl-1H-indole-3-yl)ethan-1-amine
ChEMBL: CHEMBL3609917
ZINC: ZINC000003711477
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).