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BioLiP

PDB CCD ID: 5U0
Number of entries in BioLiP: 1
Chemical formula: C19 H33 N O2 S
InChI: InChI=1S/C19H33NO2S/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-23-14-18(20)19(21)22-5/h8,10,12,18H,6-7,9,11,13-14,20H2,1-5H3/b16-10+,17-12+/t18-/m0/s1
InChIKey: SIEHZFPZQUNSAS-GCVUPTOQSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4CC(=CCCC(=CCCC(=CCSCC(C(=O)OC)N)C)C)C
CACTVS 3.385COC(=O)[C@@H](N)CSC/C=C(C)/CC\C=C(C)\CCC=C(C)C
OpenEye OEToolkits 2.0.4CC(=CCC/C(=C/CC/C(=C/CSC[C@@H](C(=O)OC)N)/C)/C)C
CACTVS 3.385COC(=O)[CH](N)CSCC=C(C)CCC=C(C)CCC=C(C)C
Name:s-farnesyl-l-cysteine methyl ester
ChEMBL: CHEMBL1477730
ZINC: ZINC000031259909
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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