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BioLiP

PDB CCD ID: 284
Number of entries in BioLiP: 1
Chemical formula: C6 H12 N2
InChI: InChI=1S/C6H12N2/c1-5-2-3-8-6(7)4-5/h4-5,8H,2-3,7H2,1H3/t5-/m0/s1
InChIKey: XSGKRRZSNPERQU-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C[CH]1CCNC(=C1)N
CACTVS 3.341
OpenEye OEToolkits 1.5.0		C[C@H]1CCNC(=C1)N
ACDLabs 10.04NC1=CC(C)CCN1
OpenEye OEToolkits 1.5.0CC1CCNC(=C1)N
Name:(4S)-4-methyl-1,4,5,6-tetrahydropyridin-2-amine
ZINC: ZINC000103523007
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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