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BioLiP

PDB CCD ID: DL1
Number of entries in BioLiP: 4
Chemical formula: C20 H21 N5 O3
InChI: InChI=1S/C20H21N5O3/c1-27-19-13-14(25-9-11-28-12-10-25)5-6-17(19)23-20(26)18-4-2-3-15(22-18)16-7-8-21-24-16/h2-8,13H,9-12H2,1H3,(H,21,24)(H,23,26)
InChIKey: RAFFLDOJXQAJPF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6COc1cc(ccc1NC(=O)c2cccc(n2)c3ccn[nH]3)N4CCOCC4
CACTVS 3.385COc1cc(ccc1NC(=O)c2cccc(n2)c3[nH]ncc3)N4CCOCC4
ACDLabs 12.01C1COCCN1c2ccc(c(c2)OC)NC(=O)c3cccc(n3)c4nncc4
Name:N-[2-methoxy-4-(morpholin-4-yl)phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
ChEMBL: CHEMBL256713
ZINC: ZINC000029046611
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).
  • 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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