BioLiP

PDB

BioLiP

PDB CCD ID:

5U0

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 2.0.4	CC(=CCCC(=CCCC(=CCSCC(C(=O)OC)N)C)C)C
CACTVS 3.385	COC(=O)[C@@H](N)CSC/C=C(C)/CC\C=C(C)\CCC=C(C)C
OpenEye OEToolkits 2.0.4	CC(=CCC/C(=C/CC/C(=C/CSC[C@@H](C(=O)OC)N)/C)/C)C
CACTVS 3.385	COC(=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, Lydia 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).