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BioLiP

PDB CCD ID: CRI
Number of entries in BioLiP: 4
Chemical formula: C24 H23 N3 O4
InChI: InChI=1S/C24H23N3O4/c1-15-4-6-17(7-5-15)22(28)25-21-13-19(12-20(14-21)24(30)27(2)3)16-8-10-18(11-9-16)23(29)26-31/h4-14,31H,1-3H3,(H,25,28)(H,26,29)
InChIKey: DOPFUKKMSDUVTQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(c1ccc(cc1)C)Nc3cc(C(=O)N(C)C)cc(c2ccc(C(=O)NO)cc2)c3
OpenEye OEToolkits 1.5.0Cc1ccc(cc1)C(=O)Nc2cc(cc(c2)C(=O)N(C)C)c3ccc(cc3)C(=O)NO
CACTVS 3.341CN(C)C(=O)c1cc(NC(=O)c2ccc(C)cc2)cc(c1)c3ccc(cc3)C(=O)NO
Name:5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLIC ACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE
DrugBank: DB07586
ZINC: ZINC000016051592
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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