SEQ2FUN

BioLiP

PDB CCD ID: 6RQ
Number of entries in BioLiP: 4
Chemical formula: C9 H11 N3
InChI: InChI=1S/C9H11N3/c1-5-3-7-8(4-6(5)2)12-9(10)11-7/h3-4H,1-2H3,(H3,10,11,12)
InChIKey: YPFQISHSXCFZMU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1cc2[nH]c(N)nc2cc1C
OpenEye OEToolkits 2.0.5Cc1cc2c(cc1C)nc([nH]2)N
Name:5,6-dimethyl-1~{H}-benzimidazol-2-amine
ChEMBL: CHEMBL3793369
ZINC: ZINC000017025187
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).