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BioLiP Library

PDB CCD ID: 9NR
Number of entries in BioLiP: 2
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:
SoftwareSMILES
OpenEye OEToolkits 1.6.1CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)O
CACTVS 3.352CN(C)c1cccc2c1cccc2[S](=O)(=O)N[CH](CCCNC(N)=N)C(O)=O
ACDLabs 10.04O=C(O)C(NS(=O)(=O)c1cccc2c1cccc2N(C)C)CCCNC(=[N@H])N
OpenEye OEToolkits 1.6.1CN(C)c1cccc2c1cccc2S(=O)(=O)NC(CCCNC(=N)N)C(=O)O
CACTVS 3.352CN(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, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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