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BioLiP Library

PDB CCD ID: B2D
Number of entries in BioLiP: 1
Chemical formula: C21 H17 N7 O
InChI: InChI=1S/C21H17N7O/c1-29-15-11-18-21(24-12-15)17(9-10-22-18)23-13-20-26-25-19-8-7-16(27-28(19)20)14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,22,23)
InChIKey: GZLYPLRRKZCYLV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0COc1cc2c(c(ccn2)NCc3nnc4n3nc(cc4)c5ccccc5)nc1
ACDLabs 11.02n1nc4ccc(nn4c1CNc2c3ncc(OC)cc3ncc2)c5ccccc5
CACTVS 3.352COc1cnc2c(NCc3nnc4ccc(nn34)c5ccccc5)ccnc2c1
Name:7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine
ChEMBL: CHEMBL566875
ZINC: ZINC000045245260
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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