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BioLiP

PDB CCD ID: T4C
Number of entries in BioLiP: 1
Chemical formula: C15 H10 Cl N O2
InChI: InChI=1S/C15H10ClNO2/c16-11-3-1-9(2-4-11)13-7-10(15(18)19)8-14-12(13)5-6-17-14/h1-8,17H,(H,18,19)
InChIKey: QSVCYCVGLSKBCQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1c2cc(cc3c2cc[nH]3)C(=O)O)Cl
CACTVS 3.385OC(=O)c1cc2[nH]ccc2c(c1)c3ccc(Cl)cc3
Name:4-(4-chlorophenyl)-1~{H}-indole-6-carboxylic acid
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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