SEQ2FUN

BioLiP

PDB CCD ID: A1ATL
Number of entries in BioLiP: 4
Chemical formula: C22 H21 Cl N6 O2
InChI: InChI=1S/C22H21ClN6O2/c1-2-3-8-18-24-20(23)19(22(30)31)29(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21-25-27-28-26-21/h4-7,9-12H,2-3,8,13H2,1H3,(H,30,31)(H,25,26,27,28)
InChIKey: ZEUXAIYYDDCIRX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4[nH]nnn4)C(=O)O)Cl
CACTVS 3.385CCCCc1nc(Cl)c(n1Cc2ccc(cc2)c3ccccc3c4[nH]nnn4)C(O)=O
ACDLabs 12.01O=C(O)c1c(Cl)nc(CCCC)n1Cc1ccc(cc1)c1ccccc1c1nnn[NH]1
Name:losartan carboxylic acid;
2-butyl-4-chloro-1-{[(2'M)-2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-1H-imidazole-5-carboxylic acid;
EXP3174;
E-3174
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).