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BioLiP Library

PDB CCD ID: ZBZ
Number of entries in BioLiP: 0
Chemical formula: C10 H11 N O3 S
InChI: InChI=1S/C10H11NO3S/c11-8(9(12)13)6-15-10(14)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,12,13)/t8-/m0/s1
InChIKey: OWZIPHGMKGSDNS-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)C(N)CSC(=O)c1ccccc1
OpenEye OEToolkits 1.7.0c1ccc(cc1)C(=O)SC[C@@H](C(=O)O)N
OpenEye OEToolkits 1.7.0c1ccc(cc1)C(=O)SCC(C(=O)O)N
CACTVS 3.370N[CH](CSC(=O)c1ccccc1)C(O)=O
CACTVS 3.370N[C@@H](CSC(=O)c1ccccc1)C(O)=O
Name:S-(phenylcarbonyl)-L-cysteine
ChEMBL: CHEMBL1561060
ZINC: ZINC000003954221
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)(download the PDF file).
  • 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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