BioLiP

PDB

BioLiP

PDB CCD ID:

DZP

Number of entries in BioLiP:

Chemical formula:

C16 H13 Cl N2 O

InChI:

InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3

InChIKey:

AAOVKJBEBIDNHE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CN1c2ccc(cc2C(=NCC1=O)c3ccccc3)Cl
CACTVS 3.341	CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13
ACDLabs 10.04	Clc3cc1c(N(C(=O)CN=C1c2ccccc2)C)cc3

Name:

7-CHLORO-1-METHYL-5-PHENYL-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE

ChEMBL:

CHEMBL12

DrugBank:

DB00829

ZINC:

ZINC000000006427

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).