BioLiP

PDB

BioLiP

PDB CCD ID:

A1CX7

Number of entries in BioLiP:

Chemical formula:

C16 H14 F3 N5 O2

InChI:

InChI=1S/C16H14F3N5O2/c1-15(2)6-26-14(25)24(15)23-13-10-8-4-3-5-9(16(17,18)19)11(8)22-12(10)20-7-21-13/h3-5,7H,6H2,1-2H3,(H2,20,21,22,23)

InChIKey:

UNLFVZOIQHHCET-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	CC1(COC(=O)N1Nc2c3c4cccc(c4[nH]c3ncn2)C(F)(F)F)C
CACTVS 3.385	CC1(C)COC(=O)N1Nc2ncnc3[nH]c4c(cccc4C(F)(F)F)c23
ACDLabs 14.52	CC1(C)COC(=O)N1Nc1ncnc2[NH]c3c(cccc3C(F)(F)F)c12

Name:

4,4-dimethyl-3-{[8-(trifluoromethyl)-9H-pyrimido[4,5-b]indol-4-yl]amino}-1,3-oxazolidin-2-one

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).