BioLiP

PDB

BioLiP

PDB CCD ID:

DDD

Number of entries in BioLiP:

Chemical formula:

C12 H17 N3 O6 S

InChI:

InChI=1S/C12H17N3O6S/c16-9-2-1-7(12(20)21)14-5-15(9)8(4-22-6-14)11(19)13-3-10(17)18/h7-8H,1-6H2,(H,13,19)(H,17,18)(H,20,21)/t7-,8-/m0/s1

InChIKey:

FNEMNSFAPZMNDP-YUMQZZPRSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1CC(=O)N2C[N@]([C@@H]1C(=O)O)CSC[C@H]2C(=O)NCC(=O)O
CACTVS 3.341	OC(=O)CNC(=O)[CH]1CSCN2CN1C(=O)CC[CH]2C(O)=O
ACDLabs 10.04	O=C(O)CNC(=O)C2N1C(=O)CCC(N(C1)CSC2)C(=O)O
CACTVS 3.341	OC(=O)CNC(=O)[C@@H]1CSCN2CN1C(=O)CC[C@H]2C(O)=O
OpenEye OEToolkits 1.5.0	C1CC(=O)N2CN(C1C(=O)O)CSCC2C(=O)NCC(=O)O

Name:

(5R,10S)-5-{[(CARBOXYMETHYL)AMINO]CARBONYL}-7-OXO-3-THIA-1,6-DIAZABICYCLO[4.4.1]UNDECANE-10-CARBOXYLIC ACID

ZINC:

ZINC000016052367

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).