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BioLiP

PDB CCD ID: U9L
Number of entries in BioLiP: 10
Chemical formula: C22 H21 Cl N4
InChI: InChI=1S/C22H21ClN4/c23-17-5-3-4-16(14-17)15-27-11-8-19-21(27)18-6-1-2-7-20(18)25-22(19)26-12-9-24-10-13-26/h1-8,11,14,24H,9-10,12-13,15H2
InChIKey: MFUVKDHSDIAPMH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1cccc(Cn2ccc3c(nc4ccccc4c23)N5CCNCC5)c1
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c3c(ccn3Cc4cccc(c4)Cl)c(n2)N5CCNCC5
Name:1-[(3-chlorophenyl)methyl]-4-piperazin-1-yl-pyrrolo[3,2-c]quinoline
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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