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BioLiP

PDB CCD ID: 13E
Number of entries in BioLiP: 0
Chemical formula: C14 H22 N2 O2 S
InChI: InChI=1S/C14H22N2O2S/c1-19-8-7-13(14(17)18)16-10-12(15)9-11-5-3-2-4-6-11/h2-6,12-13,16H,7-10,15H2,1H3,(H,17,18)/t12-,13-/m0/s1
InChIKey: NHMOMUGXIBIDTK-STQMWFEESA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CSCC[CH](NC[CH](N)Cc1ccccc1)C(O)=O
OpenEye OEToolkits 1.7.6CSCC[C@@H](C(=O)O)NC[C@H](Cc1ccccc1)N
ACDLabs 12.01O=C(O)C(NCC(N)Cc1ccccc1)CCSC
OpenEye OEToolkits 1.7.6CSCCC(C(=O)O)NCC(Cc1ccccc1)N
CACTVS 3.385CSCC[C@H](NC[C@@H](N)Cc1ccccc1)C(O)=O
Name:N-[(2S)-2-amino-3-phenylpropyl]-L-methionine
ZINC: ZINC000098207916
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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