SEQ2FUN

BioLiP

PDB CCD ID: A1EOF
Number of entries in BioLiP: 1
Chemical formula: C11 H11 N3
InChI: InChI=1S/C11H11N3/c12-6-11-7-13-9-14(11)8-10-4-2-1-3-5-10/h1-7,9,12H,8H2/b12-6+
InChIKey: AMOQDSYRPZELAU-WUXMJOGZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7[H]/N=C/c1cncn1Cc2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)Cn2cncc2C=N
CACTVS 3.385N=Cc1cncn1Cc2ccccc2
Name:[3-(phenylmethyl)imidazol-4-yl]methanimine
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).