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BioLiP

PDB CCD ID: 9V7
Number of entries in BioLiP: 0
Chemical formula: C7 H7 N O2
InChI: InChI=1S/C7H7NO2/c9-7(10)8-6-4-2-1-3-5-6/h1-5,8H,(H,9,10)
InChIKey: PWXJULSLLONQHY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)NC(=O)O
CACTVS 3.385OC(=O)Nc1ccccc1
ACDLabs 12.01N(C(O)=O)c1ccccc1
Name:phenylcarbamic acid
ZINC: ZINC000013520889
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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