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BioLiP

PDB CCD ID: OJY
Number of entries in BioLiP: 0
Chemical formula: C9 H15 N3 O3
InChI: InChI=1S/C9H15N3O3/c10-7(9(14)15)2-1-3-8-11-4-6(5-13)12-8/h4,7,13H,1-3,5,10H2,(H,11,12)(H,14,15)/t7-/m0/s1
InChIKey: LQZCDDAMPJTCPF-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c([nH]c(n1)CCCC(C(=O)O)N)CO
OpenEye OEToolkits 2.0.7c1c([nH]c(n1)CCC[C@@H](C(=O)O)N)CO
ACDLabs 12.01C(c1nc(CO)cn1)CCC(C(=O)O)N
CACTVS 3.385N[CH](CCCc1[nH]c(CO)cn1)C(O)=O
CACTVS 3.385N[C@@H](CCCc1[nH]c(CO)cn1)C(O)=O
Name:5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvaline
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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