BioLiP

PDB

BioLiP

PDB CCD ID:

IUV

Number of entries in BioLiP:

Chemical formula:

C17 H17 F3 N2 O5

InChI:

InChI=1S/C17H17F3N2O5/c18-17(19,20)9-4-1-8(2-5-9)3-6-10-7-22-11(16(26)27)12(23)13(24)14(25)15(22)21-10/h1-2,4-5,7,11-14,23-25H,3,6H2,(H,26,27)/t11-,12+,13-,14+/m0/s1

InChIKey:

LZSIPXVQPVTVNE-RFQIPJPRSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1CCc2cn3c(n2)[C@@H]([C@H]([C@@H]([C@H]3C(=O)O)O)O)O)C(F)(F)F
CACTVS 3.385	O[CH]1[CH](O)[CH](n2cc(CCc3ccc(cc3)C(F)(F)F)nc2[CH]1O)C(O)=O
OpenEye OEToolkits 2.0.7	c1cc(ccc1CCc2cn3c(n2)C(C(C(C3C(=O)O)O)O)O)C(F)(F)F
CACTVS 3.385	O[C@H]1[C@H](O)[C@H](n2cc(CCc3ccc(cc3)C(F)(F)F)nc2[C@@H]1O)C(O)=O

Name:

(5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid

ChEMBL:

CHEMBL5273557

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).