SEQ2FUN

BioLiP

PDB CCD ID: LLZ
Number of entries in BioLiP: 0
Chemical formula: C21 H28 N2 O4
InChI: InChI=1S/C21H28N2O4/c1-14(23-10-4-3-5-19(22)21(25)26)11-20(24)17-7-6-16-13-18(27-2)9-8-15(16)12-17/h6-9,12-14,19,23H,3-5,10-11,22H2,1-2H3,(H,25,26)/t14-,19-/m0/s1
InChIKey: ITVGWHAQSRRMIM-LIRRHRJNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(CC(=O)c1ccc2cc(ccc2c1)OC)NCCCCC(C(=O)O)N
ACDLabs 12.01O=C(O)C(N)CCCCNC(C)CC(=O)c1ccc2c(c1)ccc(OC)c2
OpenEye OEToolkits 1.7.0C[C@@H](CC(=O)c1ccc2cc(ccc2c1)OC)NCCCC[C@@H](C(=O)O)N
CACTVS 3.370COc1ccc2cc(ccc2c1)C(=O)C[CH](C)NCCCC[CH](N)C(O)=O
CACTVS 3.370COc1ccc2cc(ccc2c1)C(=O)C[C@H](C)NCCCC[C@H](N)C(O)=O
Name:N~6~-[(1S)-3-(6-methoxynaphthalen-2-yl)-1-methyl-3-oxopropyl]-L-lysine
ZINC: ZINC000066157030
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).