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BioLiP

PDB CCD ID: 0A8
Number of entries in BioLiP: 0
Chemical formula: C6 H11 Cl N2 O3 S
InChI: InChI=1S/C6H11ClN2O3S/c7-1-2-9-6(12)13-3-4(8)5(10)11/h4H,1-3,8H2,(H,9,12)(H,10,11)/t4-/m0/s1
InChIKey: JFWAKRSZKNRPNA-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341N[C@@H](CSC(=O)NCCCl)C(O)=O
ACDLabs 10.04O=C(O)C(N)CSC(=O)NCCCl
CACTVS 3.341N[CH](CSC(=O)NCCCl)C(O)=O
OpenEye OEToolkits 1.5.0C(CCl)NC(=O)SCC(C(=O)O)N
OpenEye OEToolkits 1.5.0C(CCl)NC(=O)SC[C@@H](C(=O)O)N
Name:S-[(2-chloroethyl)carbamoyl]-L-cysteine
ZINC: ZINC000058632656
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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