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BioLiP

PDB CCD ID: OGM
Number of entries in BioLiP: 1
Chemical formula: C10 H17 N3 O3
InChI: InChI=1S/C10H17N3O3/c1-16-10(15)11-5-3-2-4-9-12-6-8(7-14)13-9/h6,14H,2-5,7H2,1H3,(H,11,15)(H,12,13)
InChIKey: FLDJBEVUBLZUEF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COC(=O)NCCCCc1[nH]c(CO)cn1
OpenEye OEToolkits 2.0.7COC(=O)NCCCCc1[nH]c(cn1)CO
ACDLabs 12.01COC(=O)NCCCCc1nc(CO)cn1
Name:methyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate
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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