BioLiP

PDB

BioLiP

PDB CCD ID:

SBI

Number of entries in BioLiP:

Chemical formula:

C11 H9 F N2 O3

InChI:

InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1

InChIKey:

LXANPKRCLVQAOG-NSHDSACASA-N

SMILES:

Software	SMILES
CACTVS 3.341	Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1
CACTVS 3.341	Fc1ccc2OCC[C]3(NC(=O)NC3=O)c2c1
OpenEye OEToolkits 1.5.0	c1cc2c(cc1F)C3(CCO2)C(=O)NC(=O)N3
OpenEye OEToolkits 1.5.0	c1cc2c(cc1F)[C@@]3(CCO2)C(=O)NC(=O)N3
ACDLabs 10.04	Fc3ccc2OCCC1(C(=O)NC(=O)N1)c2c3

Name:

SORBINIL

ChEMBL:

CHEMBL266497

DrugBank:

DB02712

ZINC:

ZINC000000002070

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).