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BioLiP

PDB CCD ID: 6FV
Number of entries in BioLiP: 2
Chemical formula: C18 H10 N4 O3
InChI: InChI=1S/C18H10N4O3/c19-9-10-1-2-11-8-14-16(20-18(25)21-17(14)24)22(15(11)7-10)12-3-5-13(23)6-4-12/h1-8,23H,(H,21,24,25)
InChIKey: JAOMIQIQBBRLQX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc(cc1)N2c3cc(ccc3C=C4C(=O)NC(=O)N=C24)C#N
OpenEye OEToolkits 2.0.4c1cc(ccc1N2c3cc(ccc3C=C4C2=NC(=O)NC4=O)C#N)O
ACDLabs 12.01N3C(C2=Cc4c(N(c1ccc(cc1)O)C2=NC3=O)cc(cc4)C#N)=O
Name:10-(4-hydroxyphenyl)-2,4-dioxo-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile
ChEMBL: CHEMBL2420465
ZINC: ZINC000096282702
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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