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BioLiP

PDB CCD ID: 1PA
Number of entries in BioLiP: 0
Chemical formula: C11 H13 N O4
InChI: InChI=1S/C11H13NO4/c12-9(11(15)16)5-7-1-3-8(4-2-7)6-10(13)14/h1-4,9H,5-6,12H2,(H,13,14)(H,15,16)/t9-/m0/s1
InChIKey: LJHYWUVYIKCPGU-VIFPVBQESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc(ccc1CC(C(=O)O)N)CC(=O)O
CACTVS 3.370N[C@@H](Cc1ccc(CC(O)=O)cc1)C(O)=O
OpenEye OEToolkits 1.7.0c1cc(ccc1C[C@@H](C(=O)O)N)CC(=O)O
ACDLabs 12.01O=C(O)C(N)Cc1ccc(cc1)CC(=O)O
CACTVS 3.370N[CH](Cc1ccc(CC(O)=O)cc1)C(O)=O
Name:4-(carboxymethyl)-L-phenylalanine;
p-(carboxymethyl)phenylalanine
ZINC: ZINC000006092920
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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