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BioLiP

PDB CCD ID: ING
Number of entries in BioLiP: 6
Chemical formula: C10 H12 N2 O3
InChI: InChI=1S/C10H12N2O3/c11-10(15)12-8(9(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,13,14)(H3,11,12,15)/t8-/m0/s1
InChIKey: IPWQOZCSQLTKOI-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC(C(=O)O)NC(=O)N
OpenEye OEToolkits 1.5.0c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)N
CACTVS 3.341NC(=O)N[CH](Cc1ccccc1)C(O)=O
CACTVS 3.341NC(=O)N[C@@H](Cc1ccccc1)C(O)=O
ACDLabs 10.04O=C(O)C(NC(=O)N)Cc1ccccc1
Name:D-[(AMINO)CARBONYL]PHENYLALANINE
DrugBank: DB04058
ZINC: ZINC000003581319
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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