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BioLiP

PDB CCD ID: NDF
Number of entries in BioLiP: 4
Chemical formula: C11 H11 N O5
InChI: InChI=1S/C11H11NO5/c13-9(11(16)17)12-8(10(14)15)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)(H,14,15)(H,16,17)/t8-/m1/s1
InChIKey: ULQWGBCNOHBNDB-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)[C@@H](Cc1ccccc1)NC(=O)C(O)=O
ACDLabs 10.04O=C(O)C(=O)NC(C(=O)O)Cc1ccccc1
CACTVS 3.341OC(=O)[CH](Cc1ccccc1)NC(=O)C(O)=O
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC(C(=O)O)NC(=O)C(=O)O
OpenEye OEToolkits 1.5.0c1ccc(cc1)C[C@H](C(=O)O)NC(=O)C(=O)O
Name:N-(CARBOXYCARBONYL)-D-PHENYLALANINE
ChEMBL: CHEMBL486146
DrugBank: DB08263
ZINC: ZINC000026637924
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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