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BioLiP

PDB CCD ID: UGE
Number of entries in BioLiP: 1
Chemical formula: C16 H15 N O3 S
InChI: InChI=1S/C16H15NO3S/c18-12-13-7-9-15(10-8-13)21(19,20)17-11-3-5-14-4-1-2-6-16(14)17/h1-2,4,6-10,12H,3,5,11H2
InChIKey: DGDWAMQMUQVWBK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)CCCN2S(=O)(=O)c3ccc(cc3)C=O
CACTVS 3.385O=Cc1ccc(cc1)[S](=O)(=O)N2CCCc3ccccc23
Name:4-(3,4-dihydro-2~{H}-quinolin-1-ylsulfonyl)benzaldehyde
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)(download the PDF file).
  • 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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