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BioLiP Library

PDB CCD ID: OHM
Number of entries in BioLiP: 4
Chemical formula: C16 H28 N2 O3
InChI: InChI=1S/C16H28N2O3/c1-2-3-4-5-6-7-8-9-13(19)12-15(20)18-14-10-11-17-16(14)21/h14H,2-12H2,1H3,(H,17,21)(H,18,20)/t14-/m0/s1
InChIKey: VEYZCVBECUYIJZ-AWEZNQCLSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C1NCCC1NC(=O)CC(=O)CCCCCCCCC
CACTVS 3.341CCCCCCCCCC(=O)CC(=O)N[CH]1CCNC1=O
OpenEye OEToolkits 1.5.0CCCCCCCCCC(=O)CC(=O)NC1CCNC1=O
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCCC(=O)CC(=O)N[C@H]1CCNC1=O
Name:3-OXO-N-[(3S)-2-OXOPYRROLIDIN-3-YL]DODECANAMIDE
ChEMBL: CHEMBL1234965
DrugBank: DB08323
ZINC: ZINC000053683081
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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