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BioLiP

PDB CCD ID: LZN
Number of entries in BioLiP: 0
Chemical formula: C19 H21 N9 O3
InChI: InChI=1S/C19H21N9O3/c1-20-19(30)14-12(8-13(25-26-14)24-18(29)10-4-5-10)23-17-15(31-3)11(6-7-21-17)16-22-9-28(2)27-16/h6-10H,4-5H2,1-3H3,(H,20,30)(H2,21,23,24,25,29)
InChIKey: SYBURRZBLKMHFI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc3nccc(c4ncn(C)n4)c3OC
ACDLabs 12.01Cn1cnc(n1)c1ccnc(Nc2cc(NC(=O)C3CC3)nnc2C(=O)NC)c1OC
OpenEye OEToolkits 2.0.7CNC(=O)c1c(cc(nn1)NC(=O)C2CC2)Nc3c(c(ccn3)c4ncn(n4)C)OC
Name:6-[(cyclopropanecarbonyl)amino]-4-{[(4M)-3-methoxy-4-(1-methyl-1H-1,2,4-triazol-3-yl)pyridin-2-yl]amino}-N-methylpyridazine-3-carboxamide
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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