SEQ2FUN

BioLiP

PDB CCD ID: A1CU5
Number of entries in BioLiP: 2
Chemical formula: C11 H12 N2
InChI: InChI=1S/C11H12N2/c12-9-10-5-1-2-6-11(10)13-7-3-4-8-13/h1-8H,9,12H2
InChIKey: BNDYBXDAGIQWOB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1ccc(c(c1)CN)n2cccc2
ACDLabs 14.52NCc1ccccc1n1cccc1
CACTVS 3.385NCc1ccccc1n2cccc2
Name:1-[2-(1H-pyrrol-1-yl)phenyl]methanamine
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).