BioLiP

PDB

BioLiP

PDB CCD ID:

YKF

Number of entries in BioLiP:

Chemical formula:

C23 H21 N3 O5

InChI:

InChI=1S/C23H21N3O5/c1-16-13-18(26(15-27)25-23(29)30-2)11-12-21(16)24-22(28)17-7-6-10-20(14-17)31-19-8-4-3-5-9-19/h3-15H,1-2H3,(H,24,28)(H,25,29)

InChIKey:

IFPAECUTANEMNN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COC(=O)NN(C=O)c1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)c(C)c1
OpenEye OEToolkits 2.0.7	Cc1cc(ccc1NC(=O)c2cccc(c2)Oc3ccccc3)N(C=O)NC(=O)OC
ACDLabs 12.01	O=C(OC)NN(C=O)c1ccc(NC(=O)c2cc(Oc3ccccc3)ccc2)c(C)c1

Name:

methyl 2-formyl-2-[3-methyl-4-(3-phenoxybenzamido)phenyl]hydrazine-1-carboxylate

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).