SEQ2FUN

BioLiP

PDB CCD ID: 6NF
Number of entries in BioLiP: 1
Chemical formula: C15 H20 N4
InChI: InChI=1S/C15H20N4/c1-2-4-12(5-3-1)11-17-15-10-14(18-19-15)13-6-8-16-9-7-13/h6-10,12H,1-5,11H2,(H2,17,18,19)
InChIKey: PAVOZTULRSGNJC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cnccc1c2cc(n[nH]2)NCC3CCCCC3
CACTVS 3.385C1CCC(CC1)CNc2cc([nH]n2)c3ccncc3
Name:N-(CYCLOHEXYLMETHYL)-3-(4-PYRIDYL)-1H-PYRAZOL-5-AMINE
ZINC: ZINC000230472026
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).