BioLiP

PDB

BioLiP

PDB CCD ID:

LRD

Number of entries in BioLiP:

Chemical formula:

C19 H12 Cl2 O5 S

InChI:

InChI=1S/C19H12Cl2O5S/c20-14-9-11(5-7-16(14)22)19(12-6-8-17(23)15(21)10-12)13-3-1-2-4-18(13)27(24,25)26/h1-10,22H,(H,24,25,26)/b19-12+

InChIKey:

QXTPRQZMDKBTAI-XDHOZWIPSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1ccc(c(c1)/C(=C/2\C=CC(=O)C(=C2)Cl)/c3ccc(c(c3)Cl)O)S(=O)(=O)O
CACTVS 3.385	Oc1ccc(cc1Cl)C(=C2C=CC(=O)C(=C2)Cl)c3ccccc3[S](O)(=O)=O
CACTVS 3.385	Oc1ccc(cc1Cl)C(=C\2C=CC(=O)C(=C\2)Cl)/c3ccccc3[S](O)(=O)=O
OpenEye OEToolkits 1.7.6	c1ccc(c(c1)C(=C2C=CC(=O)C(=C2)Cl)c3ccc(c(c3)Cl)O)S(=O)(=O)O
ACDLabs 12.01	ClC3=CC(=C(/c1ccc(O)c(Cl)c1)c2ccccc2S(=O)(=O)O)\C=CC3=O

Name:

2-[(E)-(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid;
Chlorophenol Red

ZINC:

ZINC000016448889

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).