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BioLiP

PDB CCD ID: OAO
Number of entries in BioLiP: 1
Chemical formula: C18 H17 Cl N4 O3
InChI: InChI=1S/C18H17ClN4O3/c1-11-3-4-20-9-16(11)22-17(24)7-13-5-14(19)8-15(6-13)25-10-18-21-12(2)23-26-18/h3-6,8-9H,7,10H2,1-2H3,(H,22,24)
InChIKey: ISRHBBIYTNRSMM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)OCc3nc(no3)C
CACTVS 3.385Cc1noc(COc2cc(Cl)cc(CC(=O)Nc3cnccc3C)c2)n1
ACDLabs 12.01Cc1nc(COc2cc(CC(=O)Nc3cnccc3C)cc(Cl)c2)on1
Name:2-{3-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl}-N-(4-methylpyridin-3-yl)acetamide
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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