SEQ2FUN

BioLiP

PDB CCD ID: A1CF0
Number of entries in BioLiP: 1
Chemical formula: C10 H11 N3
InChI: InChI=1S/C10H11N3/c1-2-4-9(5-3-1)12-7-10-6-11-8-13-10/h1-6,8,12H,7H2,(H,11,13)
InChIKey: AUZUSOIPPYQZQA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C(Nc1ccccc1)c2c[nH]cn2
OpenEye OEToolkits 3.1.0.0c1ccc(cc1)NCc2c[nH]cn2
ACDLabs 14.52c1ccccc1NCc1c[NH]cn1
Name:N-[(1H-imidazol-4-yl)methyl]aniline
ChEMBL: CHEMBL2206401
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).