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BioLiP Library

PDB CCD ID: 4UJ
Number of entries in BioLiP: 1
Chemical formula: C16 H11 Cl N2 O S
InChI: InChI=1S/C16H11ClN2OS/c17-13-9-5-4-8-12(13)15(20)19-16-18-14(10-21-16)11-6-2-1-3-7-11/h1-10H,(H,18,19,20)
InChIKey: FXJFKYBQUTVGOL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1ccccc1C(=O)Nc2scc(n2)c3ccccc3
OpenEye OEToolkits 1.9.2c1ccc(cc1)c2csc(n2)NC(=O)c3ccccc3Cl
ACDLabs 12.01c3cc(Cl)c(C(Nc1scc(n1)c2ccccc2)=O)cc3
Name:2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
ChEMBL: CHEMBL1396383
ZINC: ZINC000018095876
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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