BioLiP

PDB

BioLiP

PDB CCD ID:

WA6

Number of entries in BioLiP:

Chemical formula:

C11 H14 N O5 P

InChI:

InChI=1S/C11H14NO5P/c12-11(10(13)14,7-1-2-7)8-3-5-9(6-4-8)18(15,16)17/h3-7H,1-2,12H2,(H,13,14)(H2,15,16,17)/t11-/m0/s1

InChIKey:

IGODGTDUQSMDQU-NSHDSACASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1[C@@](C2CC2)(C(=O)O)N)P(=O)(O)O
CACTVS 3.385	N[C@](C1CC1)(C(O)=O)c2ccc(cc2)[P](O)(O)=O
OpenEye OEToolkits 2.0.7	c1cc(ccc1C(C2CC2)(C(=O)O)N)P(=O)(O)O
CACTVS 3.385	N[C](C1CC1)(C(O)=O)c2ccc(cc2)[P](O)(O)=O

Name:

(2S)-2-azanyl-2-cyclopropyl-2-(4-phosphonophenyl)ethanoic 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).