BioLiP

PDB

BioLiP

PDB CCD ID:

SLA

Number of entries in BioLiP:

Chemical formula:

C10 H17 N O4

InChI:

InChI=1S/C10H17NO4/c1-5(2)7(13)10(4-12)8(14)6(3)9(15)11-10/h4-8,13-14H,1-3H3,(H,11,15)/t6-,7+,8+,10-/m1/s1

InChIKey:

NREVXJAQSWMFJZ-CHIQAWFVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C[C@@H]1[C@@H]([C@@](NC1=O)(C=O)[C@H](C(C)C)O)O
CACTVS 3.385	CC(C)[C@H](O)[C@]1(NC(=O)[C@H](C)[C@@H]1O)C=O
OpenEye OEToolkits 1.7.6	CC1C(C(NC1=O)(C=O)C(C(C)C)O)O
CACTVS 3.385	CC(C)[CH](O)[C]1(NC(=O)[CH](C)[CH]1O)C=O
ACDLabs 12.01	O=CC1(NC(=O)C(C1O)C)C(O)C(C)C

Name:

Omuralide, open form;
(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carbaldehyde

ZINC:

ZINC000098209411

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).