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BioLiP

PDB CCD ID: 2RN
Number of entries in BioLiP: 6
Chemical formula: C20 H15 N3 O
InChI: InChI=1S/C20H15N3O/c24-17-8-4-7-16(13-17)19-18(14-9-11-21-12-10-14)22-20(23-19)15-5-2-1-3-6-15/h1-13,24H,(H,22,23)
InChIKey: KPDQHNUZQHJLSJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n2c(c(c1cccc(O)c1)nc2c3ccccc3)c4ccncc4
OpenEye OEToolkits 1.7.6c1ccc(cc1)c2[nH]c(c(n2)c3ccncc3)c4cccc(c4)O
CACTVS 3.385Oc1cccc(c1)c2[nH]c(nc2c3ccncc3)c4ccccc4
Name:3-[2-phenyl-4-(pyridin-4-yl)-1H-imidazol-5-yl]phenol
ChEMBL: CHEMBL304624
ZINC: ZINC000008536641
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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