SEQ2FUN

BioLiP

PDB CCD ID: 3ZB
Number of entries in BioLiP: 1
Chemical formula: C9 H6 Cl N O2
InChI: InChI=1S/C9H6ClNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)
InChIKey: FUQOTYRCMBZFOL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc2c(cc1Cl)cc([nH]2)C(=O)O
CACTVS 3.385OC(=O)c1[nH]c2ccc(Cl)cc2c1
ACDLabs 12.01O=C(O)c2cc1cc(Cl)ccc1n2
Name:5-chloro-1H-indole-2-carboxylic acid
ChEMBL: CHEMBL23906
ZINC: ZINC000000164954
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).