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BioLiP

PDB CCD ID: KST
Number of entries in BioLiP: 0
Chemical formula: C11 H16 N2 O4 S
InChI: InChI=1S/C11H16N2O4S/c12-8(10(14)15)3-1-2-4-13-7-5-9(11(16)17)18-6-7/h5-6,8,13H,1-4,12H2,(H,14,15)(H,16,17)/t8-/m0/s1
InChIKey: LWCMSOOFWFXQDZ-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c(csc1C(=O)O)NCCCC[C@@H](C(=O)O)N
CACTVS 3.341N[CH](CCCCNc1csc(c1)C(O)=O)C(O)=O
ACDLabs 10.04O=C(O)C(N)CCCCNc1cc(sc1)C(=O)O
OpenEye OEToolkits 1.5.0c1c(csc1C(=O)O)NCCCCC(C(=O)O)N
CACTVS 3.341N[C@@H](CCCCNc1csc(c1)C(O)=O)C(O)=O
Name:N~6~-(5-CARBOXY-3-THIENYL)-L-LYSINE
ZINC: ZINC000058638954
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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