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BioLiP

PDB CCD ID: W2O
Number of entries in BioLiP: 1
Chemical formula: C9 H12 N2 O
InChI: InChI=1S/C9H12N2O/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H2,11,12)/t8-/m1/s1
InChIKey: OBSIQMZKFXFYLV-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)C[C@H](C(=O)N)N
CACTVS 3.385N[CH](Cc1ccccc1)C(N)=O
ACDLabs 12.01NC(Cc1ccccc1)C(N)=O
OpenEye OEToolkits 2.0.7c1ccc(cc1)CC(C(=O)N)N
CACTVS 3.385N[C@H](Cc1ccccc1)C(N)=O
Name:D-phenylalaninamide
ZINC: ZINC000019514483
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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