BioLiP

PDB

BioLiP

PDB CCD ID:

2CC

Number of entries in BioLiP:

Chemical formula:

C22 H13 Cl2 N3 O4

InChI:

InChI=1S/C22H13Cl2N3O4/c23-13-5-1-3-9-11(7-25-17(9)13)15-16(20(22(30)31)27-19(15)21(28)29)12-8-26-18-10(12)4-2-6-14(18)24/h1-8,25-27H,(H,28,29)(H,30,31)

InChIKey:

OAMCCJASDLMTOO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc2c(c[nH]c2c(c1)Cl)c3c(c([nH]c3C(=O)O)C(=O)O)c4c[nH]c5c4cccc5Cl
ACDLabs 10.04	Clc1cccc2c1ncc2c5c(C(=O)O)nc(C(=O)O)c5c4c3cccc(Cl)c3nc4
CACTVS 3.341	OC(=O)c1[nH]c(C(O)=O)c(c2c[nH]c3c(Cl)cccc23)c1c4c[nH]c5c(Cl)cccc45

Name:

3,4-bis(7-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid;
11,11'-Dichlorochromopyrrolic Acid

DrugBank:

DB06955

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).