SEQ2FUN

BioLiP

PDB CCD ID: 5BK
Number of entries in BioLiP: 1
Chemical formula: C17 H12 N2 O2
InChI: InChI=1S/C17H12N2O2/c20-17(21)16-9-13-11(4-2-6-15(13)19-16)10-3-1-5-14-12(10)7-8-18-14/h1-9,18-19H,(H,20,21)
InChIKey: PXFRZQUQSWYJFD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1cc4c(c(c1)c3c2ccnc2ccc3)cc(n4)C(O)=O
CACTVS 3.385OC(=O)c1[nH]c2cccc(c3cccc4[nH]ccc34)c2c1
OpenEye OEToolkits 1.9.2c1cc(c2cc[nH]c2c1)c3cccc4c3cc([nH]4)C(=O)O
Name:1H,1'H-4,4'-biindole-2-carboxylic acid
ZINC: ZINC000263620916
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).