SEQ2FUN

BioLiP

PDB CCD ID: W6S
Number of entries in BioLiP: 1
Chemical formula: C8 H13 N3
InChI: InChI=1S/C8H13N3/c1-4-9-5-2-7(1)8-3-6-10-11-8/h3,6-7,9H,1-2,4-5H2,(H,10,11)
InChIKey: FCKYIGWJVZIPLK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C1CC(CCN1)c2cc[nH]n2
OpenEye OEToolkits 2.0.7c1c[nH]nc1C2CCNCC2
ACDLabs 12.01c2cc(C1CCNCC1)nn2
Name:4-(1H-pyrazol-3-yl)piperidine
ChEMBL: CHEMBL4522902
ZINC: ZINC000019685960
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).