SEQ2FUN

BioLiP

PDB CCD ID: LCM
Number of entries in BioLiP: 1
Chemical formula: C18 H20 N2 O6
InChI: InChI=1S/C18H20N2O6/c21-13-7-3-5-11(15(13)23)17(25)19-9-1-2-10-20-18(26)12-6-4-8-14(22)16(12)24/h3-8,21-24H,1-2,9-10H2,(H,19,25)(H,20,26)
InChIKey: FBRVRHJYPWFVCL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(c(c(c1)O)O)C(=O)NCCCCNC(=O)c2cccc(c2O)O
ACDLabs 12.01O=C(c1cccc(O)c1O)NCCCCNC(=O)c2cccc(O)c2O
CACTVS 3.370Oc1cccc(C(=O)NCCCCNC(=O)c2cccc(O)c2O)c1O
Name:N,N'-butane-1,4-diylbis(2,3-dihydroxybenzamide);
4-LICAM
ChEMBL: CHEMBL3409788
ZINC: ZINC000038543559
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).