BioLiP

PDB

BioLiP

PDB CCD ID:

N8I

Number of entries in BioLiP:

Chemical formula:

C26 H22 N3 O3 P

InChI:

InChI=1S/C26H22N3O3P/c30-33(31,32)18-19-11-13-23(14-12-19)27-26-25(21-9-5-2-6-10-21)28-24-17-22(15-16-29(24)26)20-7-3-1-4-8-20/h1-17,27H,18H2,(H2,30,31,32)

InChIKey:

ORMINEGKRFWUKK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[P](O)(=O)Cc1ccc(Nc2n3ccc(cc3nc2c4ccccc4)c5ccccc5)cc1
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2ccn3c(c2)nc(c3Nc4ccc(cc4)CP(=O)(O)O)c5ccccc5
ACDLabs 12.01	O=P(O)(O)Cc1ccc(cc1)Nc1c(nc2cc(ccn12)c1ccccc1)c1ccccc1

Name:

[(4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}phenyl)methyl]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).