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BioLiP

PDB CCD ID: 1XA
Number of entries in BioLiP: 1
Chemical formula: C10 H10 N2 O
InChI: InChI=1S/C10H10N2O/c1-7-9(10(11)13-12-7)8-5-3-2-4-6-8/h2-6H,11H2,1H3
InChIKey: ZCTBUBMRXYVEHX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n2oc(c(c1ccccc1)c2C)N
CACTVS 3.385Cc1noc(N)c1c2ccccc2
OpenEye OEToolkits 1.7.6Cc1c(c(on1)N)c2ccccc2
Name:3-methyl-4-phenyl-1,2-oxazol-5-amine
ChEMBL: CHEMBL2431088
ZINC: ZINC000001235126
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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