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BioLiP

PDB CCD ID: USP
Number of entries in BioLiP: 1
Chemical formula: C8 H10 N2 O2
InChI: InChI=1S/C8H10N2O2/c1-10-6-3-2-5(9)4-7(6)12-8(10)11/h2-4,8,11H,9H2,1H3/t8-/m1/s1
InChIKey: SFDSWFBFHNEOAA-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN1[CH](O)Oc2cc(N)ccc12
OpenEye OEToolkits 2.0.7CN1c2ccc(cc2OC1O)N
OpenEye OEToolkits 2.0.7CN1c2ccc(cc2O[C@H]1O)N
CACTVS 3.385CN1[C@H](O)Oc2cc(N)ccc12
ACDLabs 12.01c1(ccc2c(c1)OC(O)N2C)N
Name:(2R)-6-amino-3-methyl-2,3-dihydro-1,3-benzoxazol-2-ol
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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