SEQ2FUN

BioLiP

PDB CCD ID: A1BUQ
Number of entries in BioLiP: 6
Chemical formula: C9 H6 Cl N O2
InChI: InChI=1S/C9H6ClNO2/c10-5-1-2-6-7(9(12)13)4-11-8(6)3-5/h1-4,11H,(H,12,13)
InChIKey: WHQHEMBHJZAHSB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1cc2c(cc1Cl)[nH]cc2C(=O)O
ACDLabs 14.52O=C(O)c1c[NH]c2cc(Cl)ccc21
CACTVS 3.385OC(=O)c1c[nH]c2cc(Cl)ccc12
Name:6-chloro-1H-indole-3-carboxylic 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).