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BioLiP

PDB CCD ID: PBY
Number of entries in BioLiP: 1
Chemical formula: C10 H9 Cl N4
InChI: InChI=1S/C10H9ClN4/c11-7-2-1-3-8(4-7)15-10-5-9(12)13-6-14-10/h1-6H,(H3,12,13,14,15)
InChIKey: YEESRFWVWLZFDI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1(cc(ccc1)Cl)Nc2cc(N)ncn2
OpenEye OEToolkits 2.0.6c1cc(cc(c1)Cl)Nc2cc(ncn2)N
CACTVS 3.385Nc1cc(Nc2cccc(Cl)c2)ncn1
Name:N~4~-(3-chlorophenyl)pyrimidine-4,6-diamine
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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