BioLiP

PDB

BioLiP

PDB CCD ID:

XP6

Number of entries in BioLiP:

Chemical formula:

C10 H13 N2 O4 P

InChI:

InChI=1S/C10H13N2O4P/c11-5-4-7-6-12-8-2-1-3-9(10(7)8)16-17(13,14)15/h1-3,6,12H,4-5,11H2,(H2,13,14,15)

InChIKey:

IKQGYCWFBVEAKF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2c(c(c1)OP(=O)(O)O)c(c[nH]2)CCN
CACTVS 3.385	NCCc1c[nH]c2cccc(O[P](O)(O)=O)c12

Name:

Norbaeocystin;
[3-(2-azanylethyl)-1~{H}-indol-4-yl] dihydrogen phosphate

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).