SEQ2FUN

BioLiP

PDB CCD ID: TIL
Number of entries in BioLiP: 2
Chemical formula: C16 H13 Cr N O4
InChI: InChI=1S/C16H15NO4.Cr/c18-14-4-2-1-3-12(14)10-17-13-7-5-11(9-15(13)19)6-8-16(20)21;/h1-5,7,9-10,18-19H,6,8H2,(H,20,21);/q;+3/p-2/b17-10+;
InChIKey: PQEURDOLYHRQIK-LZMXEPDESA-L
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc2c(c1)C=[N]3c4ccc(cc4O[Cr+]3O2)CCC(=O)O
CACTVS 3.341OC(=O)CCc1ccc2N|3=Cc4ccccc4O[Cr+]|3Oc2c1
Name:[2-[5-CARBOXYETHYL-2-PHENOLATO(NITRILOMETHYLIDYNE)][PHENOLATO]]CHROMIUM(III)
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).