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BioLiP

PDB CCD ID: JWW
Number of entries in BioLiP: 3
Chemical formula: C16 H21 N O2
InChI: InChI=1S/C16H21NO2/c1-2-3-4-5-6-11-14-16(19)15(18)12-9-7-8-10-13(12)17-14/h7-10,19H,2-6,11H2,1H3,(H,17,18)
InChIKey: CEIUIHOQDSVZJQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCCc1c(c(c2ccccc2n1)O)O
CACTVS 3.385CCCCCCCc1nc2ccccc2c(O)c1O
Name:2-heptylquinoline-3,4-diol
ChEMBL: CHEMBL2426244
ZINC: ZINC000008436860
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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