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BioLiP

PDB CCD ID: VW1
Number of entries in BioLiP: 1
Chemical formula: C10 H10 N2 O2
InChI: InChI=1S/C10H10N2O2/c1-7(10(12)13)14-9-4-2-8(6-11)3-5-9/h2-5,7H,1H3,(H2,12,13)
InChIKey: JHIGQTTZYWLCKT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C(=O)N)Oc1ccc(cc1)C#N
CACTVS 3.385C[CH](Oc1ccc(cc1)C#N)C(N)=O
CACTVS 3.385C[C@H](Oc1ccc(cc1)C#N)C(N)=O
ACDLabs 12.01N#Cc1ccc(OC(C(=O)N)C)cc1
OpenEye OEToolkits 2.0.7C[C@@H](C(=O)N)Oc1ccc(cc1)C#N
Name:(2S)-2-(4-cyanophenoxy)propanamide
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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