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BioLiP Library

PDB CCD ID: 9JC
Number of entries in BioLiP: 0
Chemical formula: C11 H11 N3 O2
InChI: InChI=1S/C11H11N3O2/c12-5-6-4-9(11(15)16)14-10-7(6)2-1-3-8(10)13/h1-4H,5,12-13H2,(H,15,16)
InChIKey: AMKRFCLMQBLGKF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c(cc(nc2c(c1)N)C(=O)O)CN
CACTVS 3.385NCc1cc(nc2c(N)cccc12)C(O)=O
Name:4-(aminomethyl)-8-azanyl-quinoline-2-carbaldehyde
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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