BioLiP

PDB

BioLiP

PDB CCD ID:

PJN

Number of entries in BioLiP:

Chemical formula:

C23 H16 N2 O6

InChI:

InChI=1S/C23H16N2O6/c26-18-9-5-4-8-17(18)24-20(14-10-12-16(13-11-14)25(30)31)19(22(28)23(24)29)21(27)15-6-2-1-3-7-15/h1-13,20,26,28H/t20-/m1/s1

InChIKey:

UQZFYWKUHIJIEJ-HXUWFJFHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1ccccc1N2[C@H](c3ccc(cc3)[N](=O)=O)C(=C(O)C2=O)C(=O)c4ccccc4
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)N(=O)=O)c4ccccc4O)O
CACTVS 3.385	Oc1ccccc1N2[CH](c3ccc(cc3)[N](=O)=O)C(=C(O)C2=O)C(=O)c4ccccc4
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C(=O)C2=C(C(=O)N([C@@H]2c3ccc(cc3)N(=O)=O)c4ccccc4O)O

Name:

(2~{R})-1-(2-hydroxyphenyl)-2-(4-nitrophenyl)-4-oxidanyl-3-(phenylcarbonyl)-2~{H}-pyrrol-5-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).