BioLiP

PDB

BioLiP

PDB CCD ID:

Q6R

Number of entries in BioLiP:

Chemical formula:

C15 H16 Cl N3 O5 S

InChI:

InChI=1S/C15H16ClN3O5S/c16-8-6-25-13(19-10(8)14(21)22)11(15(23)24)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9,11,13,19H,6,17H2,(H,18,20)(H,21,22)(H,23,24)/t9-,11+,13-/m1/s1

InChIKey:

BPKRUZRKWSLICC-SUZMYJTESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)[C@H](C(=O)N[C@@H]([C@@H]2NC(=C(CS2)Cl)C(=O)O)C(=O)O)N
CACTVS 3.385	N[C@@H](C(=O)N[C@@H]([C@@H]1NC(=C(Cl)CS1)C(O)=O)C(O)=O)c2ccccc2
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C(C(=O)NC(C2NC(=C(CS2)Cl)C(=O)O)C(=O)O)N
CACTVS 3.385	N[CH](C(=O)N[CH]([CH]1NC(=C(Cl)CS1)C(O)=O)C(O)=O)c2ccccc2

Name:

(R)-2-((R)-((R)-2-amino-2-phenylacetamido)(carboxy)methyl)-5-chloro-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid;
cefaclor

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).