SEQ2FUN

BioLiP

PDB CCD ID: 2T0
Number of entries in BioLiP: 4
Chemical formula: C11 H11 N2 O4 P S
InChI: InChI=1S/C11H11N2O4PS/c12-11-13-10-8-5-7(17-18(14,15)16)3-1-6(8)2-4-9(10)19-11/h1,3,5H,2,4H2,(H2,12,13)(H2,14,15,16)
InChIKey: SJPRRARYUZBNAD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)Oc3ccc2c(c1nc(sc1CC2)N)c3
OpenEye OEToolkits 1.5.0c1cc2c(cc1OP(=O)(O)O)-c3c(sc(n3)N)CC2
CACTVS 3.341Nc1sc2CCc3ccc(O[P](O)(O)=O)cc3c2n1
Name:2-amino-4,5-dihydronaphtho[1,2-d][1,3]thiazol-8-yl dihydrogen phosphate
ChEMBL: CHEMBL565809
ZINC: ZINC000039035257
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).