BioLiP

PDB

BioLiP

PDB CCD ID:

DNS

Number of entries in BioLiP:

Chemical formula:

C18 H25 N3 O4 S

InChI:

InChI=1S/C18H25N3O4S/c1-21(2)16-10-5-8-14-13(16)7-6-11-17(14)26(24,25)20-12-4-3-9-15(19)18(22)23/h5-8,10-11,15,20H,3-4,9,12,19H2,1-2H3,(H,22,23)/t15-/m0/s1

InChIKey:

VQPRNSWQIAHPMS-HNNXBMFYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCC(C(=O)O)N
OpenEye OEToolkits 1.5.0	CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCC[C@@H](C(=O)O)N
CACTVS 3.341	CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCC[C@H](N)C(O)=O
CACTVS 3.341	CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCC[CH](N)C(O)=O
ACDLabs 10.04	O=C(O)C(N)CCCCNS(=O)(=O)c1cccc2c1cccc2N(C)C

Name:

N~6~-{[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}-L-LYSINE;
DANSYLLYSINE;
DNS-LYSINE;
N(EPSILON)-DANSYL-L-LYSINE

DrugBank:

DB04676

ZINC:

ZINC000002545087

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).