SEQ2FUN

BioLiP

PDB CCD ID: QT5
Number of entries in BioLiP: 6
Chemical formula: C11 H13 N3
InChI: InChI=1S/C11H13N3/c1-9-13-5-6-14(9)11-4-2-3-10(7-11)8-12/h2-7H,8,12H2,1H3
InChIKey: CECWODAAUDOPCU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1nccn1c2cccc(c2)CN
CACTVS 3.385Cc1nccn1c2cccc(CN)c2
Name:[3-(2-methylimidazol-1-yl)phenyl]methanamine
ZINC: ZINC000012370672
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).