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BioLiP

PDB CCD ID: RFI
Number of entries in BioLiP: 1
Chemical formula: C17 H16 F N5 O2
InChI: InChI=1S/C17H16FN5O2/c18-10-1-2-12-13(7-10)21-15-14(12)16(20-9-19-15)22-4-3-11(8-22)23-5-6-25-17(23)24/h1-2,7,9,11H,3-6,8H2,(H,19,20,21)/t11-/m0/s1
InChIKey: JXLRADUCHRSAKP-NSHDSACASA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Fc1ccc2c([nH]c3ncnc(N4CC[C@@H](C4)N5CCOC5=O)c23)c1
ACDLabs 12.01Fc1ccc2c3c([NH]c2c1)ncnc3N1CCC(C1)N1CCOC1=O
OpenEye OEToolkits 2.0.7c1cc2c(cc1F)[nH]c3c2c(ncn3)N4CCC(C4)N5CCOC5=O
OpenEye OEToolkits 2.0.7c1cc2c(cc1F)[nH]c3c2c(ncn3)N4CC[C@@H](C4)N5CCOC5=O
CACTVS 3.385Fc1ccc2c([nH]c3ncnc(N4CC[CH](C4)N5CCOC5=O)c23)c1
Name:3-[(3S)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidin-3-yl]-1,3-oxazolidin-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).
  • 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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