BioLiP

PDB

BioLiP

PDB CCD ID:

CV2

Number of entries in BioLiP:

Chemical formula:

C9 H12 N O3 P

InChI:

InChI=1S/C9H12NO3P/c1-7(9(10)14(11,12)13)8-5-3-2-4-6-8/h2-6,9H,1,10H2,(H2,11,12,13)/t9-/m0/s1

InChIKey:

JUVPNYIYKLIRHO-VIFPVBQESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C=C(c1ccccc1)[C@@H](N)P(=O)(O)O
CACTVS 3.385	N[CH](C(=C)c1ccccc1)[P](O)(O)=O
OpenEye OEToolkits 2.0.6	C=C(c1ccccc1)C(N)P(=O)(O)O
CACTVS 3.385	N[C@H](C(=C)c1ccccc1)[P](O)(O)=O

Name:

(S)-(1-amino-2phenylallyl)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).