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BioLiP Library

PDB CCD ID: 64V
Number of entries in BioLiP: 2
Chemical formula: C26 H28 F N7 O3
InChI: InChI=1S/C26H28FN7O3/c1-32-9-7-19(8-10-32)33(15-26(36)37)25-5-2-17-14-28-24(13-23(17)30-25)29-22-4-3-20(12-21(22)27)34-11-6-18(16-35)31-34/h2-6,11-14,19,35H,7-10,15-16H2,1H3,(H,28,29)(H,36,37)
InChIKey: SZQYBGGKUBNKSZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN1CCC(CC1)N(CC(=O)O)c2ccc3cnc(cc3n2)Nc4ccc(cc4F)n5ccc(n5)CO
CACTVS 3.385CN1CCC(CC1)N(CC(O)=O)c2ccc3cnc(Nc4ccc(cc4F)n5ccc(CO)n5)cc3n2
Name:2-[[7-[[2-fluoranyl-4-[3-(hydroxymethyl)pyrazol-1-yl]phenyl]amino]-1,6-naphthyridin-2-yl]-(1-methylpiperidin-4-yl)amino]ethanoic acid
ChEMBL: CHEMBL5093012
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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