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BioLiP

PDB CCD ID: A1D64
Number of entries in BioLiP: 0
Chemical formula: C9 H12 N2 O2 S
InChI: InChI=1S/C9H12N2O2S/c10-6-1-3-7(4-2-6)14-5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)/t8-/m0/s1
InChIKey: MKNUDZLYGPHPRY-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[C@@H](CSc1ccc(N)cc1)C(O)=O
OpenEye OEToolkits 2.0.7c1cc(ccc1N)SCC(C(=O)O)N
OpenEye OEToolkits 2.0.7c1cc(ccc1N)SC[C@@H](C(=O)O)N
CACTVS 3.385N[CH](CSc1ccc(N)cc1)C(O)=O
Name:(2~{R})-3-(4-aminophenyl)sulfanyl-2-azanyl-propanoic acid;
S-(4-aminophenyl)cysteine
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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