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BioLiP

PDB CCD ID: A1APS
Number of entries in BioLiP: 2
Chemical formula: C17 H14 N2 O3 S
InChI: InChI=1S/C17H14N2O3S/c20-15(18-9-16(21)22)8-14-10-23-17(19-14)13-6-5-11-3-1-2-4-12(11)7-13/h1-7,10H,8-9H2,(H,18,20)(H,21,22)
InChIKey: VQPWBMLXWGTCAU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)CNC(=O)Cc1csc(n1)c1ccc2ccccc2c1
CACTVS 3.385OC(=O)CNC(=O)Cc1csc(n1)c2ccc3ccccc3c2
OpenEye OEToolkits 2.0.7c1ccc2cc(ccc2c1)c3nc(cs3)CC(=O)NCC(=O)O
Name:N-{[2-(naphthalen-2-yl)-1,3-thiazol-4-yl]acetyl}glycine;
SJ46411
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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