SEQ2FUN

BioLiP

PDB CCD ID: A1CWH
Number of entries in BioLiP: 1
Chemical formula: C10 H11 N3
InChI: InChI=1S/C10H11N3/c1-8-12-6-7-13(8)10-4-2-9(11)3-5-10/h2-7H,11H2,1H3
InChIKey: IEZCMVRWKNEHJB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0Cc1nccn1c2ccc(cc2)N
ACDLabs 14.52Nc1ccc(cc1)n1ccnc1C
CACTVS 3.385Cc1nccn1c2ccc(N)cc2
Name:4-(2-methyl-1H-imidazol-1-yl)aniline
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).