BioLiP

PDB

BioLiP

PDB CCD ID:

SFR

Number of entries in BioLiP:

Chemical formula:

C12 H17 N O6 S

InChI:

InChI=1S/C12H17NO6S/c1-5(14)7(11(15)16)10-13-8(12(17)18)9(20-10)6-3-2-4-19-6/h5-7,10,13-14H,2-4H2,1H3,(H,15,16)(H,17,18)/t5-,6-,7-,10-/m1/s1

InChIKey:

CGJDLFMMMJEANA-DAGMQNCNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C[C@H]([C@H]([C@@H]1NC(=C(S1)[C@H]2CCCO2)C(=O)O)C(=O)O)O
ACDLabs 12.01	OC(=O)C(C1NC(C(O)=O)=C(S1)C2OCCC2)C(O)C
OpenEye OEToolkits 2.0.6	CC(C(C1NC(=C(S1)C2CCCO2)C(=O)O)C(=O)O)O
CACTVS 3.385	C[CH](O)[CH]([CH]1NC(=C(S1)[CH]2CCCO2)C(O)=O)C(O)=O
CACTVS 3.385	C[C@@H](O)[C@H]([C@@H]1NC(=C(S1)[C@H]2CCCO2)C(O)=O)C(O)=O

Name:

(2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-5-[(2R)-oxolan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylic acid;
FAROPENEM, unbound, hydrolyzed form

ZINC:

ZINC000103556459

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).