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BioLiP

PDB CCD ID: DZP
Number of entries in BioLiP: 20
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:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CN1c2ccc(cc2C(=NCC1=O)c3ccccc3)Cl
CACTVS 3.341CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13
ACDLabs 10.04Clc3cc1c(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, 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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