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BioLiP

PDB CCD ID: GX5
Number of entries in BioLiP: 2
Chemical formula: C15 H13 Cl N4 O
InChI: InChI=1S/C15H13ClN4O/c1-20(10-5-7-11(21-2)8-6-10)14-13-12(4-3-9-17-13)18-15(16)19-14/h3-9H,1-2H3
InChIKey: RMEGSJKWVTVCMY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN(c1ccc(cc1)OC)c2c3c(cccn3)nc(n2)Cl
CACTVS 3.385COc1ccc(cc1)N(C)c2nc(Cl)nc3cccnc23
Name:2-chloranyl-N-(4-methoxyphenyl)-N-methyl-pyrido[3,2-d]pyrimidin-4-amine
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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