BioLiP

PDB

BioLiP

PDB CCD ID:

BFS

Number of entries in BioLiP:

Chemical formula:

C15 H13 Br F N O2

InChI:

InChI=1S/C15H13BrFNO2/c1-9(10-2-4-11(16)5-3-10)18-15(20)13-8-12(17)6-7-14(13)19/h2-9,19H,1H3,(H,18,20)/t9-/m1/s1

InChIKey:

KFTNEILVDDUXGR-SECBINFHSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	Brc1ccc(cc1)C(NC(=O)c2cc(F)ccc2O)C
CACTVS 3.341	C[CH](NC(=O)c1cc(F)ccc1O)c2ccc(Br)cc2
OpenEye OEToolkits 1.5.0	C[C@H](c1ccc(cc1)Br)NC(=O)c2cc(ccc2O)F
OpenEye OEToolkits 1.5.0	CC(c1ccc(cc1)Br)NC(=O)c2cc(ccc2O)F
CACTVS 3.341	C[C@@H](NC(=O)c1cc(F)ccc1O)c2ccc(Br)cc2

Name:

N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE

ChEMBL:

CHEMBL38912

DrugBank:

DB02880

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).