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BioLiP

PDB CCD ID: 3N4
Number of entries in BioLiP: 1
Chemical formula: C14 H10 O2 S
InChI: InChI=1S/C14H10O2S/c15-13(16)7-10-8-17-12-6-5-9-3-1-2-4-11(9)14(10)12/h1-6,8H,7H2,(H,15,16)
InChIKey: SGZIYCCHNHOYKN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc2c(c1)ccc3c2c(cs3)CC(=O)O
ACDLabs 12.01O=C(O)Cc1c3c(sc1)ccc2ccccc23
CACTVS 3.370OC(=O)Cc1csc2ccc3ccccc3c12
Name:naphtho[2,1-b]thiophen-1-ylacetic acid
ZINC: ZINC000058638452
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)(download the PDF file).
  • 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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