BioLiP

PDB

BioLiP

PDB CCD ID:

SLR

Number of entries in BioLiP:

Chemical formula:

C10 H17 N O5

InChI:

InChI=1S/C10H17NO5/c1-4(2)6(12)10(9(15)16)7(13)5(3)8(14)11-10/h4-7,12-13H,1-3H3,(H,11,14)(H,15,16)/t5-,6+,7-,10-/m1/s1

InChIKey:

USVJHCXEVSVUEZ-JTGULSINSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C[C@@H]1[C@H]([C@](NC1=O)([C@H](C(C)C)O)C(=O)O)O
CACTVS 3.341	CC(C)[C@H](O)[C@]1(NC(=O)[C@H](C)[C@H]1O)C(O)=O
ACDLabs 10.04	O=C1NC(C(=O)O)(C(O)C1C)C(O)C(C)C
OpenEye OEToolkits 1.5.0	CC1C(C(NC1=O)(C(C(C)C)O)C(=O)O)O
CACTVS 3.341	CC(C)[CH](O)[C]1(NC(=O)[CH](C)[CH]1O)C(O)=O

Name:

(3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-D-proline

ZINC:

ZINC000058638563

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).