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BioLiP Library

PDB CCD ID: A1IMX
Number of entries in BioLiP: 0
Chemical formula: C24 H26 N6 O4
InChI: InChI=1S/C24H26N6O4/c25-14-16-4-1-5-18(12-16)33-10-3-9-30-15-17(28-29-30)8-11-34-22-13-21(24(31)32)27-23-19(22)6-2-7-20(23)26/h1-2,4-7,12-13,15H,3,8-11,14,25-26H2,(H,31,32)
InChIKey: GTWPGQQBIMBTAY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NCc1cccc(OCCCn2cc(CCOc3cc(nc4c(N)cccc34)C(O)=O)nn2)c1
OpenEye OEToolkits 2.0.7c1cc(cc(c1)OCCCn2cc(nn2)CCOc3cc(nc4c3cccc4N)C(=O)O)CN
Name:4-[2-[1-[3-[3-(aminomethyl)phenoxy]propyl]-1,2,3-triazol-4-yl]ethoxy]-8-azanyl-quinoline-2-carboxylic acid
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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