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BioLiP Library

PDB CCD ID: 7Q7
Number of entries in BioLiP: 4
Chemical formula: C23 H20 N4 O3
InChI: InChI=1S/C23H20N4O3/c1-28-18-11-13(12-19(29-2)22(18)30-3)20-21-17(8-10-25-20)26-23(27-21)15-5-4-6-16-14(15)7-9-24-16/h4-12,24H,1-3H3,(H,26,27)
InChIKey: GZJHBGSBVSNHCJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1cc(cc(OC)c1OC)c2nccc3[nH]c(nc23)c4cccc5[nH]ccc45
OpenEye OEToolkits 2.0.6COc1cc(cc(c1OC)OC)c2c3c(ccn2)[nH]c(n3)c4cccc5c4cc[nH]5
ACDLabs 12.01COc1c(c(OC)cc(c1)c2nccc3c2nc(n3)c4cccc5c4ccn5)OC
Name:2-(1H-indol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine
ChEMBL: CHEMBL3633360
ZINC: ZINC000473167251
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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