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BioLiP

PDB CCD ID: 04V
Number of entries in BioLiP: 0
Chemical formula: C5 H10 N2 O
InChI: InChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m0/s1
InChIKey: VLJNHYLEOZPXFW-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=N)[C@@H]1CCCN1
OpenEye OEToolkits 1.9.2C1CC(NC1)C(=N)O
OpenEye OEToolkits 1.9.2[H]/N=C(/[C@@H]1CCCN1)\O
CACTVS 3.385OC(=N)[CH]1CCCN1
ACDLabs 12.01[N@H]=C(O)C1NCCC1
Name:(2S)-pyrrolidine-2-carboximidic acid
ChEMBL: CHEMBL1222059
ZINC: ZINC000000391898
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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