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BioLiP Library

PDB CCD ID: 6UI
Number of entries in BioLiP: 2
Chemical formula: C19 H15 N3 O
InChI: InChI=1S/C19H15N3O/c1-23-17-5-4-14-10-16(3-2-15(14)11-17)19-18(21-12-22-19)13-6-8-20-9-7-13/h2-12H,1H3,(H,21,22)
InChIKey: DXOWEAIMGARAMG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6COc1ccc2cc(ccc2c1)c3c([nH]cn3)c4ccncc4
CACTVS 3.385COc1ccc2cc(ccc2c1)c3nc[nH]c3c4ccncc4
ACDLabs 12.01n4c(c1ccc2c(c1)ccc(OC)c2)c(c3ccncc3)nc4
Name:4-[4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl]pyridine
ChEMBL: CHEMBL2030506
ZINC: ZINC000084756915
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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