SEQ2FUN

BioLiP

PDB CCD ID: OT2
Number of entries in BioLiP: 3
Chemical formula: C20 H16 N2 O10 S3
InChI: InChI=1S/C20H16N2O10S3/c23-16-7-5-11-9-12(33(24,25)26)10-18(35(30,31)32)19(11)20(16)22-21-15-6-8-17(34(27,28)29)14-4-2-1-3-13(14)15/h1-10,20-22H,(H,24,25,26)(H,27,28,29)(H,30,31,32)/t20-/m0/s1
InChIKey: DOHFSJYQGWYGDQ-FQEVSTJZSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O[S](=O)(=O)c1cc2C=CC(=O)[CH](NNc3ccc(c4ccccc34)[S](O)(=O)=O)c2c(c1)[S](O)(=O)=O
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c(ccc2S(=O)(=O)O)NNC3c4c(cc(cc4S(=O)(=O)O)S(=O)(=O)O)C=CC3=O
CACTVS 3.385O[S](=O)(=O)c1cc2C=CC(=O)[C@H](NNc3ccc(c4ccccc34)[S](O)(=O)=O)c2c(c1)[S](O)(=O)=O
Name:7-oxidanylidene-8-[2-(4-sulfonaphthalen-1-yl)hydrazinyl]-8~{H}-naphthalene-1,3-disulfonic acid
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).