BioLiP

PDB

BioLiP

PDB CCD ID:

8R0

Number of entries in BioLiP:

Chemical formula:

C17 H16 N2 O2

InChI:

InChI=1S/C17H16N2O2/c1-19-15(11-12-7-3-2-4-8-12)16(20)18-14-10-6-5-9-13(14)17(19)21/h2-10,15H,11H2,1H3,(H,18,20)/t15-/m1/s1

InChIKey:

KSQNKZMAMGACTL-OAHLLOKOSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN1[CH](Cc2ccccc2)C(=O)Nc3ccccc3C1=O
OpenEye OEToolkits 2.0.6	CN1[C@@H](C(=O)Nc2ccccc2C1=O)Cc3ccccc3
OpenEye OEToolkits 2.0.6	CN1C(C(=O)Nc2ccccc2C1=O)Cc3ccccc3
CACTVS 3.385	CN1[C@H](Cc2ccccc2)C(=O)Nc3ccccc3C1=O

Name:

(3R)-4-methyl-3-(phenylmethyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione

ZINC:

ZINC000013429859

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).