BioLiP

PDB

BioLiP

PDB CCD ID:

JGX

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCOc1ccccc1OCCNC(C)Cc2ccc(c(c2)S(=O)(=O)N)OC
OpenEye OEToolkits 2.0.7	CCOc1ccccc1OCCN[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC
CACTVS 3.385	CCOc1ccccc1OCCN[C@H](C)Cc2ccc(OC)c(c2)[S](N)(=O)=O
CACTVS 3.385	CCOc1ccccc1OCCN[CH](C)Cc2ccc(OC)c(c2)[S](N)(=O)=O

Name:

Tamsulosin

ChEMBL:

CHEMBL836

DrugBank:

DB00706

ZINC:

ZINC000001530694

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).