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BioLiP

PDB CCD ID: SBI
Number of entries in BioLiP: 3
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:
SoftwareSMILES
CACTVS 3.341Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1
CACTVS 3.341Fc1ccc2OCC[C]3(NC(=O)NC3=O)c2c1
OpenEye OEToolkits 1.5.0c1cc2c(cc1F)C3(CCO2)C(=O)NC(=O)N3
OpenEye OEToolkits 1.5.0c1cc2c(cc1F)[C@@]3(CCO2)C(=O)NC(=O)N3
ACDLabs 10.04Fc3ccc2OCCC1(C(=O)NC(=O)N1)c2c3
Name:SORBINIL
ChEMBL: CHEMBL266497
DrugBank: DB02712
ZINC: ZINC000000002070
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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