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BioLiP

PDB CCD ID: HK6
Number of entries in BioLiP: 1
Chemical formula: C13 H9 Cl N2 O
InChI: InChI=1S/C13H9ClN2O/c14-8-5-6-11-12(7-8)16-13(17)9-3-1-2-4-10(9)15-11/h1-7,15H,(H,16,17)
InChIKey: YVWNDABPZGGQFE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)C(=O)Nc3cc(ccc3N2)Cl
ACDLabs 12.01Clc3cc1c(Nc2c(C(=O)N1)cccc2)cc3
CACTVS 3.370Clc1ccc2Nc3ccccc3C(=O)Nc2c1
Name:8-chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one
ChEMBL: CHEMBL396034
ZINC: ZINC000002387146
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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