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BioLiP

PDB CCD ID: 6M6
Number of entries in BioLiP: 0
Chemical formula: C12 H16 N2 O2 S2
InChI: InChI=1S/C12H16N2O2S2/c13-10(11(15)16)8-18-12(17)14-7-6-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,14,17)(H,15,16)/t10-/m0/s1
InChIKey: FWNOABWJBHBVKJ-JTQLQIEISA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[CH](CSC(=S)NCCc1ccccc1)C(O)=O
OpenEye OEToolkits 2.0.4c1ccc(cc1)CCNC(=S)SC[C@@H](C(=O)O)N
ACDLabs 12.01S(C(NCCc1ccccc1)=S)CC(C(O)=O)N
OpenEye OEToolkits 2.0.4c1ccc(cc1)CCNC(=S)SCC(C(=O)O)N
CACTVS 3.385N[C@@H](CSC(=S)NCCc1ccccc1)C(O)=O
Name:S-[(2-phenylethyl)carbamothioyl]-L-cysteine
ZINC: ZINC000033995528
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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