BioLiP

PDB

BioLiP

PDB CCD ID:

FDT

Number of entries in BioLiP:

Chemical formula:

C10 H10 N4 O3 S

InChI:

InChI=1S/C10H10N4O3S/c1-14-3-7(12-13-14)9-6(4-15)2-11-8(5-18-9)10(16)17/h2-5,9,11H,1H3,(H,16,17)/t9-/m0/s1

InChIKey:

BCPHJDLBOJMWOD-VIFPVBQESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	Cn1cc(nn1)[C@@H]2C(=CNC(=CS2)C(=O)O)C=O
CACTVS 3.341	Cn1cc(nn1)[C@H]2SC=C(NC=C2C=O)C(O)=O
ACDLabs 10.04	O=C(O)C=1NC=C(C=O)C(SC=1)c2nnn(c2)C
OpenEye OEToolkits 1.5.0	Cn1cc(nn1)C2C(=CNC(=CS2)C(=O)O)C=O
CACTVS 3.341	Cn1cc(nn1)[CH]2SC=C(NC=C2C=O)C(O)=O

Name:

(7R)-6-FORMYL-7-(1-METHYL-1H-1,2,3-TRIAZOL-4-YL)-4,7-DIHYDRO-1,4-THIAZEPINE-3-CARBOXYLIC ACID;
7-(1-METHYL-1,2,3-TRIAZOL-4-YL)-6-FORMYL-2,7-DIHYDRO-[1,4]THIAZEPINE-3-CARBOXYLIC ACID;
BRL42715;
C6-(N1-METHYL-1,2,3-TRIAZOLYLMETHYLENE)PENEM

DrugBank:

DB02816

ZINC:

ZINC000103541321

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).