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BioLiP

PDB CCD ID: RIV
Number of entries in BioLiP: 2
Chemical formula: C19 H18 Cl N3 O5 S
InChI: InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1
InChIKey: KGFYHTZWPPHNLQ-AWEZNQCLSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1N2CCOCC2=O)N3C[C@@H](OC3=O)CNC(=O)c4ccc(s4)Cl
CACTVS 3.341Clc1sc(cc1)C(=O)NC[C@H]2CN(C(=O)O2)c3ccc(cc3)N4CCOCC4=O
ACDLabs 10.04O=C(NCC3OC(=O)N(c2ccc(N1C(=O)COCC1)cc2)C3)c4sc(Cl)cc4
OpenEye OEToolkits 1.5.0c1cc(ccc1N2CCOCC2=O)N3CC(OC3=O)CNC(=O)c4ccc(s4)Cl
CACTVS 3.341Clc1sc(cc1)C(=O)NC[CH]2CN(C(=O)O2)c3ccc(cc3)N4CCOCC4=O
Name:5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide;
Rivaroxaban
ChEMBL: CHEMBL198362
DrugBank: DB06228
ZINC: ZINC000003964126
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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