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BioLiP Library

PDB CCD ID: 5YH
Number of entries in BioLiP: 2
Chemical formula: C18 H17 F2 N3 O2
InChI: InChI=1S/C18H17F2N3O2/c19-11-1-3-16-14(7-11)15-8-12(20)2-4-17(15)23(16)10-13(24)9-22-6-5-21-18(22)25/h1-4,7-8,13,24H,5-6,9-10H2,(H,21,25)/t13-/m0/s1
InChIKey: MUVYYQQLOKRDQS-ZDUSSCGKSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O[CH](CN1CCNC1=O)Cn2c3ccc(F)cc3c4cc(F)ccc24
CACTVS 3.385O[C@@H](CN1CCNC1=O)Cn2c3ccc(F)cc3c4cc(F)ccc24
OpenEye OEToolkits 2.0.7c1cc2c(cc1F)c3cc(ccc3n2C[C@H](CN4CCNC4=O)O)F
OpenEye OEToolkits 2.0.7c1cc2c(cc1F)c3cc(ccc3n2CC(CN4CCNC4=O)O)F
Name:1-[(2R)-3-[3,6-bis(fluoranyl)carbazol-9-yl]-2-oxidanyl-propyl]imidazolidin-2-one
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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