BioLiP

PDB

BioLiP

PDB CCD ID:

A1LVP

Number of entries in BioLiP:

Chemical formula:

C21 H22 N2 O5

InChI:

InChI=1S/C21H22N2O5/c1-4-10-23-11-17(26)22(3)14-9-8-13(12(2)18(14)21(23)28)20(27)19-15(24)6-5-7-16(19)25/h4,8-9,24H,1,5-7,10-11H2,2-3H3

InChIKey:

NIWCIBOQMVCWFM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1c(ccc2c1C(=O)N(CC(=O)N2C)CC=C)C(=O)C3=C(CCCC3=O)O
CACTVS 3.385	CN1C(=O)CN(CC=C)C(=O)c2c(C)c(ccc12)C(=O)C3=C(O)CCCC3=O

Name:

1,6-dimethyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-4-prop-2-enyl-3~{H}-1,4-benzodiazepine-2,5-dione

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).