BioLiP

PDB

BioLiP

PDB CCD ID:

IHU

Number of entries in BioLiP:

Chemical formula:

C15 H12 Cl F N2 O4

InChI:

InChI=1S/C15H12ClFN2O4/c1-23-13-5-3-9(20)7-12(13)18-15(22)19-14(21)10-4-2-8(17)6-11(10)16/h2-7,20H,1H3,(H2,18,19,21,22)

InChIKey:

RFOBTYLRURSVJE-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(c1ccc(F)cc1Cl)NC(=O)Nc2cc(O)ccc2OC
CACTVS 3.341	COc1ccc(O)cc1NC(=O)NC(=O)c2ccc(F)cc2Cl
OpenEye OEToolkits 1.5.0	COc1ccc(cc1NC(=O)NC(=O)c2ccc(cc2Cl)F)O

Name:

N-(2-CHLORO-4-FLUOROBENZOYL)-N'-(5-HYDROXY-2-METHOXYPHENYL)UREA;
1-(2-CHLORO-4-FLUORO-BENZOYL)-3-(5-HYDROXY-2-METHOXY-PHENYL)-UREA

ChEMBL:

CHEMBL198408

DrugBank:

DB07968

ZINC:

ZINC000013673951

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).