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BioLiP Library

PDB CCD ID: NVC
Number of entries in BioLiP: 3
Chemical formula: C19 H25 N3 O4
InChI: InChI=1S/C19H25N3O4/c1-2-3-7-14(12-21(25)13-23)19(24)22-11-6-9-16(22)18-20-15-8-4-5-10-17(15)26-18/h4-5,8,10,13-14,16,25H,2-3,6-7,9,11-12H2,1H3/t14-,16+/m1/s1
InChIKey: QDDZLTVSNABZIK-ZBFHGGJFSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c2oc3ccccc3n2
CACTVS 3.341CCCC[CH](CN(O)C=O)C(=O)N1CCC[CH]1c2oc3ccccc3n2
ACDLabs 10.04O=CN(O)CC(C(=O)N3CCCC3c1nc2ccccc2o1)CCCC
OpenEye OEToolkits 1.5.0CCCC[C@H](CN(C=O)O)C(=O)N1CCC[C@H]1c2nc3ccccc3o2
OpenEye OEToolkits 1.5.0CCCCC(CN(C=O)O)C(=O)N1CCCC1c2nc3ccccc3o2
Name:N-[(2R)-2-{[(2S)-2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-N-hydroxyformamide
ChEMBL: CHEMBL506649
DrugBank: DB08310
ZINC: ZINC000040980708
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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