BioLiP

PDB

BioLiP

PDB CCD ID:

AUP

Number of entries in BioLiP:

Chemical formula:

C24 H21 N2 P

InChI:

InChI=1S/C24H21N2P/c1-2-10-18(11-3-1)27-23(21-14-6-8-16-25-21)19-12-4-5-13-20(19)24(27)22-15-7-9-17-26-22/h1-3,6-11,14-17H,4-5,12-13H2

InChIKey:

GSKNNHAAFLPYHG-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	n1ccccc1c3c5c(c(c2ncccc2)p3c4ccccc4)CCCC5
OpenEye OEToolkits 1.5.0	c1ccc(cc1)p2c(c3c(c2c4ccccn4)CCCC3)c5ccccn5
CACTVS 3.341	C1CCc2c(C1)c([p](c3ccccc3)c2c4ccccn4)c5ccccn5

Name:

2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE

DrugBank:

DB07393

ZINC:

ZINC000035837003

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).