BioLiP

PDB

BioLiP

PDB CCD ID:

X4W

Number of entries in BioLiP:

Chemical formula:

C22 H18 N4 O2

InChI:

InChI=1S/C22H18N4O2/c1-15(16-7-3-2-4-8-16)26-21(27)14-28-19-11-10-17(24-22(19)26)18-13-23-20-9-5-6-12-25(18)20/h2-13,15H,14H2,1H3/t15-/m1/s1

InChIKey:

SYVMVOGMTMPBEH-OAHLLOKOSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	CC(N1c2nc(ccc2OCC1=O)c1cnc2ccccn21)c1ccccc1
OpenEye OEToolkits 2.0.7	C[C@H](c1ccccc1)N2c3c(ccc(n3)c4cnc5n4cccc5)OCC2=O
OpenEye OEToolkits 2.0.7	CC(c1ccccc1)N2c3c(ccc(n3)c4cnc5n4cccc5)OCC2=O
CACTVS 3.385	C[CH](N1C(=O)COc2ccc(nc12)c3cnc4ccccn34)c5ccccc5
CACTVS 3.385	C[C@@H](N1C(=O)COc2ccc(nc12)c3cnc4ccccn34)c5ccccc5

Name:

(6P)-6-[(4S)-imidazo[1,2-a]pyridin-3-yl]-4-[(1R)-1-phenylethyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one

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).