BioLiP

PDB

BioLiP

PDB CCD ID:

5VW

Number of entries in BioLiP:

Chemical formula:

C11 H20 N4 O7 S

InChI:

InChI=1S/C11H20N4O7S/c16-7-15-6-8(13-22-23(18,19)20)1-2-10(15)11(17)14-21-9-3-4-12-5-9/h7-10,12-13H,1-6H2,(H,14,17)(H,18,19,20)/t8-,9+,10+/m1/s1

InChIKey:

RTYOMSYVLRQWIH-UTLUCORTSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	C1CC(N(CC1NOS(=O)(=O)O)C=O)C(=O)NOC2CCNC2
OpenEye OEToolkits 2.0.4	C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NO[C@H]2CCNC2
CACTVS 3.385	O[S](=O)(=O)ON[CH]1CC[CH](N(C1)C=O)C(=O)NO[CH]2CCNC2
CACTVS 3.385	O[S](=O)(=O)ON[C@@H]1CC[C@H](N(C1)C=O)C(=O)NO[C@H]2CCNC2

Name:

[[(3~{R},6~{S})-1-methanoyl-6-[[(3~{S})-pyrrolidin-3-yl]oxycarbamoyl]piperidin-3-yl]amino] hydrogen sulfate;
FPI-1465, bound form

ZINC:

ZINC000263620995

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).