BioLiP

PDB

BioLiP

PDB CCD ID:

PAT

Number of entries in BioLiP:

Chemical formula:

C11 H13 N2 O5 P

InChI:

InChI=1S/C11H13N2O5P/c12-11(10(14)15,19(16,17)18)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6,13H,5,12H2,(H,14,15)(H2,16,17,18)

InChIKey:

QNAXJEGUCRQKDR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)(N)P(=O)(O)O
ACDLabs 10.04	O=C(O)C(N)(P(=O)(O)O)Cc2c1ccccc1nc2
CACTVS 3.341	N[C](Cc1c[nH]c2ccccc12)(C(O)=O)[P](O)(O)=O
CACTVS 3.341	N[C@@](Cc1c[nH]c2ccccc12)(C(O)=O)[P](O)(O)=O
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)c(c[nH]2)C[C@@](C(=O)O)(N)P(=O)(O)O

Name:

ALPHA-PHOSPHONO-TRYPTOPHAN

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).