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BioLiP

PDB CCD ID: R2J
Number of entries in BioLiP: 3
Chemical formula: C10 H13 N3
InChI: InChI=1S/C10H13N3/c1-11-7-9-8-5-3-4-6-10(8)13(2)12-9/h3-6,11H,7H2,1-2H3
InChIKey: XDQYKASLVAVERE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c2c1n(C)nc(c1ccc2)CNC
OpenEye OEToolkits 2.0.7CNCc1c2ccccc2n(n1)C
CACTVS 3.385CNCc1nn(C)c2ccccc12
Name:N-methyl-1-(1-methyl-1H-indazol-3-yl)methanamine
ZINC: ZINC000005177586
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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