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BioLiP

PDB CCD ID: W3K
Number of entries in BioLiP: 2
Chemical formula: C16 H17 N3
InChI: InChI=1S/C16H17N3/c1-11-4-9-14-15(10-11)18-16(17-14)12-5-7-13(8-6-12)19(2)3/h4-10H,1-3H3,(H,17,18)
InChIKey: DCBQWCSRVVGWAN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN(C)c1ccc(cc1)c2[nH]c3ccc(C)cc3n2
OpenEye OEToolkits 2.0.7Cc1ccc2c(c1)nc([nH]2)c3ccc(cc3)N(C)C
Name:N,N-dimethyl-4-(5-methyl-1H-benzimidazol-2-yl)aniline
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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