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BioLiP

PDB CCD ID: 7KW
Number of entries in BioLiP: 1
Chemical formula: C19 H15 N5
InChI: InChI=1S/C19H15N5/c1-3-7-14(8-4-1)18-16(13-21-24-18)17-11-12-20-19(23-17)22-15-9-5-2-6-10-15/h1-13H,(H,21,24)(H,20,22,23)
InChIKey: GHIDSWLDHRXNQM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385[nH]1cc(c2ccnc(Nc3ccccc3)n2)c(n1)c4ccccc4
ACDLabs 12.01n2c(c1ccccc1)c(cn2)c3nc(ncc3)Nc4ccccc4
OpenEye OEToolkits 1.9.2c1ccc(cc1)c2c(c[nH]n2)c3ccnc(n3)Nc4ccccc4
Name:N-phenyl-4-(5-phenyl-1H-pyrazol-4-yl)pyrimidin-2-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)(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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