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BioLiP

PDB CCD ID: A1D46
Number of entries in BioLiP: 11
Chemical formula: C21 H20 N4 O2
InChI: InChI=1S/C21H20N4O2/c26-21-15(10-13-4-5-16-18(11-13)24-12-23-16)20-17(25-21)2-1-3-19(20)27-14-6-8-22-9-7-14/h1-5,10-12,14,22H,6-9H2,(H,23,24)(H,25,26)
InChIKey: GEWYCLDNMSKZLN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C1Nc2cccc(OC3CCNCC3)c2C1=Cc4ccc5[nH]cnc5c4
CACTVS 3.385O=C\1Nc2cccc(OC3CCNCC3)c2C\1=C/c4ccc5[nH]cnc5c4
OpenEye OEToolkits 2.0.7c1cc2c(c(c1)OC3CCNCC3)C(=Cc4ccc5c(c4)nc[nH]5)C(=O)N2
Name:3-(1~{H}-benzimidazol-5-ylmethylidene)-4-piperidin-4-yloxy-1~{H}-indol-2-one;
(Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-(piperidin-4-yloxy)indolin-2-one
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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