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BioLiP

PDB CCD ID: 5NO
Number of entries in BioLiP: 0
Chemical formula: C21 H23 N5 O2
InChI: InChI=1S/C21H23N5O2/c27-12-4-3-11-24-17-6-2-1-5-16(17)23-20(24)14-25-19-13-22-10-9-18(19)26(21(25)28)15-7-8-15/h1-2,5-6,9-10,13,15,27H,3-4,7-8,11-12,14H2
InChIKey: KSHJXDWYTZJUEI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OCCCCn1c(CN2C(=O)N(C3CC3)c4ccncc24)nc5ccccc15
OpenEye OEToolkits 2.0.4c1ccc2c(c1)nc(n2CCCCO)CN3c4cnccc4N(C3=O)C5CC5
Name:1-cyclopropyl-3-[[1-(4-oxidanylbutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;
BMS-433771
ChEMBL: CHEMBL243876
ZINC: ZINC000028820871
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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