BioLiP

PDB

BioLiP

PDB CCD ID:

DGF

Number of entries in BioLiP:

Chemical formula:

C12 H17 N O5 S

InChI:

InChI=1S/C12H17NO5S/c1-6(15)7(5-14)11-13-9(12(16)17)10(19-11)8-3-2-4-18-8/h5-8,10-11,15H,2-4H2,1H3,(H,16,17)/t6-,7-,8-,10+,11-/m1/s1

InChIKey:

FHQOUTNMKXYVEY-MKSGQPMJSA-N

SMILES:

Software	SMILES
CACTVS 3.370	C[C@@H](O)[C@@H](C=O)[C@H]1S[C@@H]([C@H]2CCCO2)C(=N1)C(O)=O
OpenEye OEToolkits 1.7.6	C[C@H]([C@@H](C=O)[C@@H]1N=C(C(S1)[C@H]2CCCO2)C(=O)O)O
OpenEye OEToolkits 1.7.6	CC(C(C=O)C1N=C(C(S1)C2CCCO2)C(=O)O)O
CACTVS 3.370	C[CH](O)[CH](C=O)[CH]1S[CH]([CH]2CCCO2)C(=N1)C(O)=O
ACDLabs 12.01	O=C(O)C1=NC(SC1C2OCCC2)C(C=O)C(O)C

Name:

(2R,5R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydro-1,3-thiazole-4-carboxylic acid;
FAROPENEM PRODUCT, BOUND FORM

ZINC:

ZINC000584905526

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).