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BioLiP Library

PDB CCD ID: BJF
Number of entries in BioLiP: 0
Chemical formula: C14 H25 N3 O3
InChI: InChI=1S/C14H25N3O3/c1-8(2)5-10(15)13-16-11(6-9(3)4)14(20)17(13)7-12(18)19/h8-10,20H,5-7,15H2,1-4H3,(H,18,19)/t10-/m0/s1
InChIKey: ZLWZOWAVQYOHMA-JTQLQIEISA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)C[C@H](N)c1nc(CC(C)C)c(O)n1CC(O)=O
OpenEye OEToolkits 2.0.6CC(C)Cc1c(n(c(n1)C(CC(C)C)N)CC(=O)O)O
OpenEye OEToolkits 2.0.6CC(C)Cc1c(n(c(n1)[C@H](CC(C)C)N)CC(=O)O)O
CACTVS 3.385CC(C)C[CH](N)c1nc(CC(C)C)c(O)n1CC(O)=O
ACDLabs 12.01Oc1c(CC(C)C)nc(C(N)CC(C)C)n1CC(O)=O
Name:{2-[(1S)-1-amino-3-methylbutyl]-5-hydroxy-4-(2-methylpropyl)-1H-imidazol-1-yl}acetic acid;
CHROMOPHORE (LEU-LEU-GLY)
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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