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BioLiP

PDB CCD ID: JYH
Number of entries in BioLiP: 2
Chemical formula: C24 H17 N O3
InChI: InChI=1S/C24H17NO3/c26-23(25-20-13-11-18(12-14-20)24(27)28)19-10-9-17-7-4-8-21(22(17)15-19)16-5-2-1-3-6-16/h1-15H,(H,25,26)(H,27,28)
InChIKey: BVFVCDJTSNPOPW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)c2cccc3c2cc(cc3)C(=O)Nc4ccc(cc4)C(=O)O
CACTVS 3.370OC(=O)c1ccc(NC(=O)c2ccc3cccc(c4ccccc4)c3c2)cc1
ACDLabs 12.01O=C(Nc1ccc(cc1)C(=O)O)c4cc3c(c2ccccc2)cccc3cc4
Name:4-{[(8-phenylnaphthalen-2-yl)carbonyl]amino}benzoic acid
ZINC: ZINC000098209058
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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