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BioLiP Library

PDB CCD ID: 9PR
Number of entries in BioLiP: 0
Chemical formula: C6 H12 N2 O
InChI: InChI=1S/C6H12N2O/c1-7-6(9)5-3-2-4-8-5/h5,8H,2-4H2,1H3,(H,7,9)/t5-/m0/s1
InChIKey: URHXQSTYLJNJMT-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(NC)C1NCCC1
OpenEye OEToolkits 1.7.0CNC(=O)C1CCCN1
CACTVS 3.370CNC(=O)[CH]1CCCN1
CACTVS 3.370
OpenEye OEToolkits 1.7.0		CNC(=O)[C@@H]1CCCN1
Name:N-methyl-L-prolinamide
ChEMBL: CHEMBL1230685
ZINC: ZINC000019413552
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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