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BioLiP

PDB CCD ID: 2GV
Number of entries in BioLiP: 2
Chemical formula: C26 H23 N5 O2
InChI: InChI=1S/C26H23N5O2/c1-26(2)22(18-7-4-3-5-8-18)31(25(32)33-26)20-11-9-17(10-12-20)19-15-21(23(27)30-16-19)24-28-13-6-14-29-24/h3-16,22H,1-2H3,(H2,27,30)/t22-/m0/s1
InChIKey: BGDLETKJFQIBLX-QFIPXVFZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC1([C@@H](N(C(=O)O1)c2ccc(cc2)c3cc(c(nc3)N)c4ncccn4)c5ccccc5)C
CACTVS 3.385CC1(C)OC(=O)N([C@H]1c2ccccc2)c3ccc(cc3)c4cnc(N)c(c4)c5ncccn5
ACDLabs 12.01O=C2OC(C)(C)C(c1ccccc1)N2c5ccc(c4cc(c3ncccn3)c(nc4)N)cc5
OpenEye OEToolkits 1.7.6CC1(C(N(C(=O)O1)c2ccc(cc2)c3cc(c(nc3)N)c4ncccn4)c5ccccc5)C
CACTVS 3.385CC1(C)OC(=O)N([CH]1c2ccccc2)c3ccc(cc3)c4cnc(N)c(c4)c5ncccn5
Name:(4S)-3-{4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]phenyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
ChEMBL: CHEMBL3099720
ZINC: ZINC000095921039
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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