BioLiP

PDB

BioLiP

PDB CCD ID:

9NV

Number of entries in BioLiP:

Chemical formula:

C17 H22 N2 O4 S

InChI:

InChI=1S/C17H22N2O4S/c1-4-7-14(17(20)21)18-24(22,23)16-11-6-8-12-13(16)9-5-10-15(12)19(2)3/h5-6,8-11,14,18H,4,7H2,1-3H3,(H,20,21)/t14-/m0/s1

InChIKey:

XRCZZVVWVGSUGJ-AWEZNQCLSA-N

SMILES:

Software	SMILES
CACTVS 3.352	CCC[C@H](N[S](=O)(=O)c1cccc2c(cccc12)N(C)C)C(O)=O
ACDLabs 10.04	O=C(O)C(NS(=O)(=O)c1cccc2c1cccc2N(C)C)CCC
OpenEye OEToolkits 1.6.1	CCC[C@@H](C(=O)O)NS(=O)(=O)c1cccc2c1cccc2N(C)C
OpenEye OEToolkits 1.6.1	CCCC(C(=O)O)NS(=O)(=O)c1cccc2c1cccc2N(C)C
CACTVS 3.352	CCC[CH](N[S](=O)(=O)c1cccc2c(cccc12)N(C)C)C(O)=O

Name:

DANSYL-L-NORVALINE

ZINC:

ZINC000002545085

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).