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BioLiP

PDB CCD ID: T2F
Number of entries in BioLiP: 1
Chemical formula: C16 H12 Cl N O2
InChI: InChI=1S/C16H12ClNO2/c1-9-13(16(19)20)8-14(12-6-7-18-15(9)12)10-2-4-11(17)5-3-10/h2-8,18H,1H3,(H,19,20)
InChIKey: HXZMDXUYYVDPRW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1c(cc(c2c1[nH]cc2)c3ccc(cc3)Cl)C(=O)O
CACTVS 3.385Cc1c2[nH]ccc2c(cc1C(O)=O)c3ccc(Cl)cc3
Name:4-(4-chlorophenyl)-7-methyl-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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