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BioLiP

PDB CCD ID: 4OU
Number of entries in BioLiP: 0
Chemical formula: C12 H14 N2 O3
InChI: InChI=1S/C12H14N2O3/c1-2-11(15)14-9-5-3-8(4-6-9)7-10(13)12(16)17/h2-6,10H,1,7,13H2,(H,14,15)(H,16,17)/t10-/m0/s1
InChIKey: ZUAJCXDEDFXJER-JTQLQIEISA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2C=CC(=O)Nc1ccc(cc1)CC(C(=O)O)N
OpenEye OEToolkits 1.9.2C=CC(=O)Nc1ccc(cc1)C[C@@H](C(=O)O)N
ACDLabs 12.01c1(ccc(NC([C@H]=C)=O)cc1)CC(C(=O)O)N
CACTVS 3.385N[CH](Cc1ccc(NC(=O)C=C)cc1)C(O)=O
CACTVS 3.385N[C@@H](Cc1ccc(NC(=O)C=C)cc1)C(O)=O
Name:4-(acryloylamino)-L-phenylalanine
ZINC: ZINC000203782534
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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