BioLiP

PDB

BioLiP

PDB CCD ID:

GVL

Number of entries in BioLiP:

Chemical formula:

C9 H19 N2 O8 P

InChI:

InChI=1S/C9H19N2O8P/c1-9(2,6(12)7(11)13)4-19-20(16,17)18-3-5(10)8(14)15/h5-6,12H,3-4,10H2,1-2H3,(H2,11,13)(H,14,15)(H,16,17)/t5-,6-/m0/s1

InChIKey:

YQHAEUQRUHFKLT-WDSKDSINSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CC(C)(CO[P](O)(=O)OC[CH](N)C(O)=O)[CH](O)C(N)=O
ACDLabs 10.04	O=C(N)C(O)C(COP(=O)(OCC(N)C(=O)O)O)(C)C
CACTVS 3.341	CC(C)(CO[P@](O)(=O)OC[C@H](N)C(O)=O)[C@@H](O)C(N)=O
OpenEye OEToolkits 1.5.0	CC(C)(COP(=O)(O)OCC(C(=O)O)N)C(C(=O)N)O
OpenEye OEToolkits 1.5.0	CC(C)(CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)[C@H](C(=O)N)O

Name:

O-[(R)-{[(3R)-4-AMINO-3-HYDROXY-2,2-DIMETHYL-4-OXOBUTYL]OXY}(HYDROXY)PHOSPHORYL]-L-SERINE

ZINC:

ZINC000064417423

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).