BioLiP

PDB

BioLiP

PDB CCD ID:

9DS

Number of entries in BioLiP:

Chemical formula:

C15 H18 N2 O4 S

InChI:

InChI=1S/C15H18N2O4S/c1-16(2)13-8-4-7-12-11(13)6-5-9-14(12)22(20,21)17(3)10-15(18)19/h4-9H,10H2,1-3H3,(H,18,19)

InChIKey:

BRLJKBOXIVONAG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.6.1	CN(C)c1cccc2c1cccc2S(=O)(=O)[N@@](C)CC(=O)O
CACTVS 3.352	CN(C)c1cccc2c1cccc2[S](=O)(=O)N(C)CC(O)=O
ACDLabs 10.04	O=C(O)CN(C)S(=O)(=O)c1cccc2c1cccc2N(C)C
OpenEye OEToolkits 1.6.1	CN(C)c1cccc2c1cccc2S(=O)(=O)N(C)CC(=O)O

Name:

DANSYL-L-SARCOSINE

ChEMBL:

CHEMBL1230668

ZINC:

ZINC000002545088

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).