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BioLiP

PDB CCD ID: RHT
Number of entries in BioLiP: 1
Chemical formula: C13 H13 N5
InChI: InChI=1S/C13H13N5/c1-18-7-16-10-3-2-8(4-11(10)18)9-5-12(14)17-13(15)6-9/h2-7H,1H3,(H4,14,15,17)
InChIKey: SOLATORCLYYKKR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cn1cnc2c1cc(cc2)c3cc(nc(c3)N)N
CACTVS 3.385Cn1cnc2ccc(cc12)c3cc(N)nc(N)c3
Name:4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine
ChEMBL: CHEMBL5083489
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)(download the PDF file).
  • 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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