BioLiP

PDB

BioLiP

PDB CCD ID:

2GB

Number of entries in BioLiP:

Chemical formula:

C18 H20 N O7 P

InChI:

InChI=1S/C18H20NO7P/c20-17(21)11-10-16(18(22)23)19-27(24,25)26-12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16H,10-12H2,(H,20,21)(H,22,23)(H2,19,24,25)/t16-/m0/s1

InChIKey:

DATQTWKKBHKLSV-INIZCTEOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1ccc(cc1)c2ccc(cc2)COP(=O)(NC(CCC(=O)O)C(=O)O)O
CACTVS 3.385	OC(=O)CC[CH](N[P](O)(=O)OCc1ccc(cc1)c2ccccc2)C(O)=O
ACDLabs 12.01	O=C(O)C(NP(=O)(OCc1ccc(cc1)c2ccccc2)O)CCC(=O)O
OpenEye OEToolkits 1.9.2	c1ccc(cc1)c2ccc(cc2)COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O
CACTVS 3.385	OC(=O)CC[C@H](N[P](O)(=O)OCc1ccc(cc1)c2ccccc2)C(O)=O

Name:

N-[(S)-(biphenyl-4-ylmethoxy)(hydroxy)phosphoryl]-L-glutamic acid

ZINC:

ZINC000116773407

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).