BioLiP

PDB

BioLiP

PDB CCD ID:

TSI

Number of entries in BioLiP:

Chemical formula:

C5 H13 N O2

InChI:

InChI=1S/C5H13NO2/c1-4(7)5(2,8)3-6/h4,7-8H,3,6H2,1-2H3/t4-,5+/m1/s1

InChIKey:

CNLUNMTZBAHKFI-UHNVWZDZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(C(C)(CN)O)O
OpenEye OEToolkits 1.5.0	C[C@H]([C@](C)(CN)O)O
CACTVS 3.341	C[C@@H](O)[C@@](C)(O)CN
CACTVS 3.341	C[CH](O)[C](C)(O)CN
ACDLabs 10.04	OC(C)C(O)(C)CN

Name:

(2S,3R)-1-AMINO-2-METHYLBUTANE-2,3-DIOL

DrugBank:

DB02847

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).