BioLiP

PDB

BioLiP

PDB CCD ID:

N7U

Number of entries in BioLiP:

Chemical formula:

C19 H16 N3 O3 P

InChI:

InChI=1S/C19H16N3O3P/c23-26(24,25)16-11-9-15(10-12-16)20-19-18(14-6-2-1-3-7-14)21-17-8-4-5-13-22(17)19/h1-13,20H,(H2,23,24,25)

InChIKey:

PVOVQXFFCUTLSZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2c(n3ccccc3n2)Nc4ccc(cc4)P(=O)(O)O
CACTVS 3.385	O[P](O)(=O)c1ccc(Nc2n3ccccc3nc2c4ccccc4)cc1
ACDLabs 12.01	O=P(O)(O)c1ccc(cc1)Nc1c(nc2ccccn12)c1ccccc1

Name:

(4-{[(4S)-2-phenylimidazo[1,2-a]pyridin-3-yl]amino}phenyl)phosphonic acid

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).