BioLiP

PDB

BioLiP

PDB CCD ID:

9NR

Number of entries in BioLiP:

Chemical formula:

C18 H25 N5 O4 S

InChI:

InChI=1S/C18H25N5O4S/c1-23(2)15-9-3-7-13-12(15)6-4-10-16(13)28(26,27)22-14(17(24)25)8-5-11-21-18(19)20/h3-4,6-7,9-10,14,22H,5,8,11H2,1-2H3,(H,24,25)(H4,19,20,21)/t14-/m0/s1

InChIKey:

HRBPBWKDJGGGCX-AWEZNQCLSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.6.1	CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)O
CACTVS 3.352	CN(C)c1cccc2c1cccc2[S](=O)(=O)N[CH](CCCNC(N)=N)C(O)=O
ACDLabs 10.04	O=C(O)C(NS(=O)(=O)c1cccc2c1cccc2N(C)C)CCCNC(=[N@H])N
OpenEye OEToolkits 1.6.1	CN(C)c1cccc2c1cccc2S(=O)(=O)NC(CCCNC(=N)N)C(=O)O
CACTVS 3.352	CN(C)c1cccc2c1cccc2[S](=O)(=O)N[C@@H](CCCNC(N)=N)C(O)=O

Name:

DANSYL-L-ARGININE

ZINC:

ZINC000002575474

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).