SEQ2FUN

BioLiP

PDB CCD ID: 2PZ
Number of entries in BioLiP: 1
Chemical formula: C16 H22 N4 O
InChI: InChI=1S/C16H22N4O/c17-9-16(21)19-13-5-7-20(8-6-13)11-12-10-18-15-4-2-1-3-14(12)15/h1-4,10,13,18H,5-9,11,17H2,(H,19,21)
InChIKey: CVIHXVZLCLPGPP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(NC3CCN(Cc1cnc2ccccc12)CC3)CN
CACTVS 3.385NCC(=O)NC1CCN(CC1)Cc2c[nH]c3ccccc23
OpenEye OEToolkits 1.7.6c1ccc2c(c1)c(c[nH]2)CN3CCC(CC3)NC(=O)CN
Name:N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]glycinamide
ChEMBL: CHEMBL4169930
ZINC: ZINC000098208233
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).