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BioLiP

PDB CCD ID: W6A
Number of entries in BioLiP: 1
Chemical formula: C9 H6 Cl N O2
InChI: InChI=1S/C9H6ClNO2/c10-6-2-1-3-7-5(6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)
InChIKey: VXZHQADIRFFCMJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c2cc1c(cc(C(O)=O)n1)c(c2)Cl
OpenEye OEToolkits 2.0.7c1cc2c(cc([nH]2)C(=O)O)c(c1)Cl
CACTVS 3.385OC(=O)c1[nH]c2cccc(Cl)c2c1
Name:4-chloro-1H-indole-2-carboxylic acid
ChEMBL: CHEMBL312668
ZINC: ZINC000001683100
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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