BioLiP

PDB

BioLiP

PDB CCD ID:

UOY

Number of entries in BioLiP:

Chemical formula:

C19 H22 N2 O4

InChI:

InChI=1S/C19H22N2O4/c1-19(2,3)11-15(18(23)24)21-17(22)13-9-10-16(20-12-13)25-14-7-5-4-6-8-14/h4-10,12,15H,11H2,1-3H3,(H,21,22)(H,23,24)/t15-/m0/s1

InChIKey:

DASSWHWKVPKLEB-HNNXBMFYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C)(C)CC(C(=O)O)NC(=O)c1ccc(nc1)Oc2ccccc2
OpenEye OEToolkits 2.0.7	CC(C)(C)C[C@@H](C(=O)O)NC(=O)c1ccc(nc1)Oc2ccccc2
ACDLabs 12.01	C(=O)(c1cnc(cc1)Oc2ccccc2)NC(C(=O)O)CC(C)(C)C
CACTVS 3.385	CC(C)(C)C[CH](NC(=O)c1ccc(Oc2ccccc2)nc1)C(O)=O
CACTVS 3.385	CC(C)(C)C[C@H](NC(=O)c1ccc(Oc2ccccc2)nc1)C(O)=O

Name:

4-methyl-N-(6-phenoxypyridine-3-carbonyl)-L-leucine

ChEMBL:

CHEMBL4751985

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).