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BioLiP Library

PDB CCD ID: OH1
Number of entries in BioLiP: 2
Chemical formula: C15 H19 N3 O2
InChI: InChI=1S/C15H19N3O2/c19-11-13-10-17-14(18-13)8-4-5-9-16-15(20)12-6-2-1-3-7-12/h1-3,6-7,10,19H,4-5,8-9,11H2,(H,16,20)(H,17,18)
InChIKey: JCUWYBMNDMMIAC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)C(=O)NCCCCc2[nH]cc(n2)CO
CACTVS 3.385OCc1c[nH]c(CCCCNC(=O)c2ccccc2)n1
ACDLabs 12.01C(NC(c1ccccc1)=O)CCCc2ncc(CO)n2
Name:N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}benzamide
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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