BioLiP

PDB

BioLiP

PDB CCD ID:

K4F

Number of entries in BioLiP:

Chemical formula:

C27 H23 N3 O3

InChI:

InChI=1S/C27H23N3O3/c1-27(2)24(19-8-4-3-5-9-19)30(26(32)33-27)21-15-13-20(14-16-21)25(31)29-22-12-6-10-18-11-7-17-28-23(18)22/h3-17,24H,1-2H3,(H,29,31)/t24-/m0/s1

InChIKey:

LUYWAGVRXKSNLL-DEOSSOPVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CC1(C(N(C(=O)O1)c2ccc(cc2)C(=O)Nc3cccc4c3nccc4)c5ccccc5)C
OpenEye OEToolkits 1.7.6	CC1([C@@H](N(C(=O)O1)c2ccc(cc2)C(=O)Nc3cccc4c3nccc4)c5ccccc5)C
CACTVS 3.370	CC1(C)OC(=O)N([C@H]1c2ccccc2)c3ccc(cc3)C(=O)Nc4cccc5cccnc45
ACDLabs 12.01	O=C(Nc2c1ncccc1ccc2)c5ccc(N4C(=O)OC(C)(C)C4c3ccccc3)cc5
CACTVS 3.370	CC1(C)OC(=O)N([CH]1c2ccccc2)c3ccc(cc3)C(=O)Nc4cccc5cccnc45

Name:

4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(quinolin-8-yl)benzamide

ChEMBL:

CHEMBL2381958

ZINC:

ZINC000095921037

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).