BioLiP

PDB

BioLiP

PDB CCD ID:

8YF

Number of entries in BioLiP:

Chemical formula:

C12 H19 N3 O5 S

InChI:

InChI=1S/C12H19N3O5S/c1-6(16)9(11(17)18)7-4-8(10(15-7)12(19)20)21-3-2-14-5-13/h5-7,9,15-16H,2-4H2,1H3,(H2,13,14)(H,17,18)(H,19,20)/t6-,7-,9-/m1/s1

InChIKey:

KSLAOLVLEKIZMQ-ZXFLCMHBSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[CH](O)[CH]([CH]1CC(=C(N1)C(O)=O)SCCNC=N)C(O)=O
CACTVS 3.385	C[C@@H](O)[C@H]([C@H]1CC(=C(N1)C(O)=O)SCCNC=N)C(O)=O
OpenEye OEToolkits 2.0.6	[H]/N=C/NCCSC1=C(N[C@H](C1)[C@@H]([C@@H](C)O)C(=O)O)C(=O)O
OpenEye OEToolkits 2.0.6	CC(C(C1CC(=C(N1)C(=O)O)SCCNC=N)C(=O)O)O

Name:

(2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid;
Imipenem, hydrolyzed form

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).