BioLiP

PDB

BioLiP

PDB CCD ID:

AUQ

Number of entries in BioLiP:

Chemical formula:

C16 H16 I N O3

InChI:

InChI=1S/C16H16INO3/c1-11(21-15-9-7-14(20-2)8-10-15)16(19)18-13-5-3-12(17)4-6-13/h3-11H,1-2H3,(H,18,19)/t11-/m0/s1

InChIKey:

OTYVYTRAYJQPRW-NSHDSACASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C[C@@H](C(=O)Nc1ccc(cc1)I)Oc2ccc(cc2)OC
CACTVS 3.385	COc1ccc(O[C@@H](C)C(=O)Nc2ccc(I)cc2)cc1
CACTVS 3.385	COc1ccc(O[CH](C)C(=O)Nc2ccc(I)cc2)cc1
OpenEye OEToolkits 2.0.6	CC(C(=O)Nc1ccc(cc1)I)Oc2ccc(cc2)OC

Name:

(2~{S})-~{N}-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide

ZINC:

ZINC000002848101

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).