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BioLiP

PDB CCD ID: APD
Number of entries in BioLiP: 3
Chemical formula: C10 H13 N O2
InChI: InChI=1S/C10H13NO2/c1-7-3-2-4-8(5-7)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1
InChIKey: JZRBSTONIYRNRI-VIFPVBQESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1cccc(c1)CC(C(=O)O)N
ACDLabs 10.04O=C(O)C(N)Cc1cccc(c1)C
CACTVS 3.341Cc1cccc(C[CH](N)C(O)=O)c1
CACTVS 3.341Cc1cccc(C[C@H](N)C(O)=O)c1
OpenEye OEToolkits 1.5.0Cc1cccc(c1)C[C@@H](C(=O)O)N
Name:3-METHYLPHENYLALANINE
ChEMBL: CHEMBL1231013
DrugBank: DB02685
ZINC: ZINC000001652106
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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