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BioLiP

PDB CCD ID: 2CC
Number of entries in BioLiP: 1
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:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc2c(c[nH]c2c(c1)Cl)c3c(c([nH]c3C(=O)O)C(=O)O)c4c[nH]c5c4cccc5Cl
ACDLabs 10.04Clc1cccc2c1ncc2c5c(C(=O)O)nc(C(=O)O)c5c4c3cccc(Cl)c3nc4
CACTVS 3.341OC(=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, Peter L 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).

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