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BioLiP

PDB CCD ID: W0J
Number of entries in BioLiP: 2
Chemical formula: C10 H16 N4
InChI: InChI=1S/C10H16N4/c1-11-9-4-3-7-14(8-9)10-5-2-6-12-13-10/h2,5-6,9,11H,3-4,7-8H2,1H3/t9-/m1/s1
InChIKey: QLSDWIHANVSIEK-SECBINFHSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N1(CCCC(C1)NC)c2nnccc2
OpenEye OEToolkits 2.0.7CNC1CCCN(C1)c2cccnn2
CACTVS 3.385CN[CH]1CCCN(C1)c2cccnn2
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CN[C@@H]1CCCN(C1)c2cccnn2
Name:(3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine
ZINC: ZINC000053205008
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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