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BioLiP

PDB CCD ID: YXB
Number of entries in BioLiP: 4
Chemical formula: C11 H14 N2
InChI: InChI=1S/C11H14N2/c1-2-12-8-9-4-3-5-11-10(9)6-7-13-11/h3-7,12-13H,2,8H2,1H3
InChIKey: HIBJZFFYONQAOO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCNCc1cccc2c1cc[nH]2
ACDLabs 12.01CCNCc1cccc2[NH]ccc12
CACTVS 3.385CCNCc1cccc2[nH]ccc12
Name:N-[(1H-indol-4-yl)methyl]ethanamine
ZINC: ZINC000015423548
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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