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BioLiP

PDB CCD ID: 5LP
Number of entries in BioLiP: 1
Chemical formula: C15 H14 Cl N3 O3
InChI: InChI=1S/C15H14ClN3O3/c1-8-2-4-10(14(20)21)13(6-8)19-15(22)18-12-5-3-9(16)7-11(12)17/h2-7H,17H2,1H3,(H,20,21)(H2,18,19,22)
InChIKey: OVROHYZIQZOIGO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2N)Cl)C(=O)O
CACTVS 3.385Cc1ccc(C(O)=O)c(NC(=O)Nc2ccc(Cl)cc2N)c1
Name:2-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]-4-methyl-benzoic acid
ZINC: ZINC000584904830
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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