SEQ2FUN

BioLiP

PDB CCD ID: RWV
Number of entries in BioLiP: 2
Chemical formula: C11 H19 N3 S
InChI: InChI=1S/C11H19N3S/c1-9-13-11(8-15-9)7-14-4-2-10(6-12)3-5-14/h8,10H,2-7,12H2,1H3
InChIKey: ZEYZIFKDRCDRKU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N1(CCC(CC1)CN)Cc2csc(n2)C
OpenEye OEToolkits 2.0.6Cc1nc(cs1)CN2CCC(CC2)CN
CACTVS 3.385Cc1scc(CN2CCC(CN)CC2)n1
Name:1-{1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine
ChEMBL: CHEMBL4521589
ZINC: ZINC000044511794
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).