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BioLiP

PDB CCD ID: VGN
Number of entries in BioLiP: 1
Chemical formula: C21 H17 N O3
InChI: InChI=1S/C21H17NO3/c1-14(23)22-20-12-11-18(13-19(20)21(24)25)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,22,23)(H,24,25)
InChIKey: XXPKIBVYLUEVCV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)c3cc(c2ccc(c1ccccc1)cc2)ccc3NC(=O)C
CACTVS 3.352CC(=O)Nc1ccc(cc1C(O)=O)c2ccc(cc2)c3ccccc3
OpenEye OEToolkits 1.6.1CC(=O)Nc1ccc(cc1C(=O)O)c2ccc(cc2)c3ccccc3
Name:2-ACETAMIDO-5-(4-PHENYLPHENYL)BENZOIC ACID
ZINC: ZINC000058649673
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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