SEQ2FUN

BioLiP

PDB CCD ID: NJT
Number of entries in BioLiP: 8
Chemical formula: C15 H14 Cl N3 O
InChI: InChI=1S/C15H14ClN3O/c1-2-8-19-13-4-3-7-17-14(13)18-12-9-10(16)5-6-11(12)15(19)20/h3-7,9H,2,8H2,1H3,(H,17,18)
InChIKey: QTCZUCSALXBZQR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCN1c2cccnc2Nc3cc(ccc3C1=O)Cl
CACTVS 3.385CCCN1C(=O)c2ccc(Cl)cc2Nc3ncccc13
Name:9-chloranyl-5-propyl-11~{H}-pyrido[2,3-b][1,4]benzodiazepin-6-one
ChEMBL: CHEMBL5303404
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).