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BioLiP

PDB CCD ID: JGX
Number of entries in BioLiP: 1
Chemical formula: C20 H28 N2 O5 S
InChI: InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
InChIKey: DRHKJLXJIQTDTD-OAHLLOKOSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCOc1ccccc1OCCNC(C)Cc2ccc(c(c2)S(=O)(=O)N)OC
OpenEye OEToolkits 2.0.7CCOc1ccccc1OCCN[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC
CACTVS 3.385CCOc1ccccc1OCCN[C@H](C)Cc2ccc(OC)c(c2)[S](N)(=O)=O
CACTVS 3.385CCOc1ccccc1OCCN[CH](C)Cc2ccc(OC)c(c2)[S](N)(=O)=O
Name:Tamsulosin
ChEMBL: CHEMBL836
DrugBank: DB00706
ZINC: ZINC000001530694
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).
  • 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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