SEQ2FUN

BioLiP

PDB CCD ID: SW2
Number of entries in BioLiP: 2
Chemical formula: C11 H12 N2
InChI: InChI=1S/C11H12N2/c12-9-10-4-3-5-11(8-10)13-6-1-2-7-13/h1-8H,9,12H2
InChIKey: XLBYUDUEHVKUKQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370NCc1cccc(c1)n2cccc2
OpenEye OEToolkits 1.7.2c1ccn(c1)c2cccc(c2)CN
ACDLabs 12.01c1ccc(cc1CN)n2cccc2
Name:1-[3-(1H-pyrrol-1-yl)phenyl]methanamine
ZINC: ZINC000000158963
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).