SEQ2FUN

BioLiP

PDB CCD ID: NQL
Number of entries in BioLiP: 1
Chemical formula: C20 H29 Cl N4 O2
InChI: InChI=1S/C20H29ClN4O2/c21-14-18(26)23-15-16-6-12-25(13-7-16)19(27)20(8-10-22-11-9-20)24-17-4-2-1-3-5-17/h1-5,16,22,24H,6-15H2,(H,23,26)
InChIKey: XANXFUXIXRLBSI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)NC2(CCNCC2)C(=O)N3CCC(CC3)CNC(=O)CCl
CACTVS 3.385ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCNCC2)Nc3ccccc3
Name:2-chloranyl-N-[[1-(4-phenylazanylpiperidin-4-yl)carbonylpiperidin-4-yl]methyl]ethanamide
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).