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BioLiP

PDB CCD ID: NQ1
Number of entries in BioLiP: 6
Chemical formula: C20 H15 F N2 O
InChI: InChI=1S/C20H15FN2O/c21-15-10-11-18-19(12-15)23(13-14-6-2-1-3-7-14)20(24)16-8-4-5-9-17(16)22-18/h1-12,22H,13H2
InChIKey: NKFCUHMOEKHJLB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)CN2c3cc(ccc3Nc4ccccc4C2=O)F
ACDLabs 12.01c32C(N(c1cc(F)ccc1Nc2cccc3)Cc4ccccc4)=O
CACTVS 3.385Fc1ccc2Nc3ccccc3C(=O)N(Cc4ccccc4)c2c1
Name:10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one
ChEMBL: CHEMBL4520903
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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