BioLiP

PDB

BioLiP

PDB CCD ID:

Q53

Number of entries in BioLiP:

Chemical formula:

C16 H19 N3 O5 S

InChI:

InChI=1S/C16H19N3O5S/c1-8-7-25-14(19-11(8)15(21)22)12(16(23)24)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10,12,14,19H,7,17H2,1H3,(H,18,20)(H,21,22)(H,23,24)/t10-,12+,14-/m1/s1

InChIKey:

MSGWVKZSYIMFHD-SCDSUCTJSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC1=C(N[C@H](SC1)[C@H](NC(=O)[C@H](N)c2ccccc2)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7	CC1=C(NC(SC1)C(C(=O)O)NC(=O)C(c2ccccc2)N)C(=O)O
OpenEye OEToolkits 2.0.7	CC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O
CACTVS 3.385	CC1=C(N[CH](SC1)[CH](NC(=O)[CH](N)c2ccccc2)C(O)=O)C(O)=O

Name:

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

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).