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BioLiP

PDB CCD ID: AVO
Number of entries in BioLiP: 2
Chemical formula: C10 H17 N3 O2
InChI: InChI=1S/C10H15N3O2/c14-10(15)9(13-3-1-2-4-13)5-8-6-11-7-12-8/h6-7,9H,1-5H2,(H,11,12)(H,14,15)/p+2/t9-/m0/s1
InChIKey: CXSFDCSBVZQXDD-VIFPVBQESA-P
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1c([nH]c[nH+]1)C[C@@H](C(=O)O)[NH+]2CCCC2
OpenEye OEToolkits 2.0.6c1c([nH]c[nH+]1)CC(C(=O)O)[NH+]2CCCC2
CACTVS 3.385OC(=O)[C@H](Cc1[nH]c[nH+]c1)[NH+]2CCCC2
CACTVS 3.385OC(=O)[CH](Cc1[nH]c[nH+]c1)[NH+]2CCCC2
Name:Pyrrolidinohistidine
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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