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BioLiP Library

PDB CCD ID: 6Q2
Number of entries in BioLiP: 2
Chemical formula: C21 H19 N3 O2
InChI: InChI=1S/C21H19N3O2/c1-26-16-9-5-8-15(12-16)23-19-13-18(14-6-3-2-4-7-14)24-17-10-11-22-21(25)20(17)19/h2-9,12-13H,10-11H2,1H3,(H,22,25)(H,23,24)
InChIKey: PBJZBHKLXZKPND-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1cccc(Nc2cc(nc3CCNC(=O)c23)c4ccccc4)c1
ACDLabs 12.01c1(cccc(OC)c1)Nc4c2C(=O)NCCc2nc(c3ccccc3)c4
OpenEye OEToolkits 2.0.4COc1cccc(c1)Nc2cc(nc3c2C(=O)NCC3)c4ccccc4
Name:4-[(3-methoxyphenyl)amino]-2-phenyl-7,8-dihydro-1,6-naphthyridin-5(6H)-one
ChEMBL: CHEMBL4064370
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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