BioLiP

PDB

BioLiP

PDB CCD ID:

6VF

Number of entries in BioLiP:

Chemical formula:

C10 H15 N O3

InChI:

InChI=1S/C10H15NO3/c11-9(10(14)6-12)5-7-1-3-8(13)4-2-7/h1-4,9-10,12-14H,5-6,11H2/t9-,10-/m0/s1

InChIKey:

QZVJNWITXFDEFK-UWVGGRQHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[C@@H](Cc1ccc(O)cc1)[C@@H](O)CO
OpenEye OEToolkits 2.0.5	c1cc(ccc1CC(C(CO)O)N)O
CACTVS 3.385	N[CH](Cc1ccc(O)cc1)[CH](O)CO
OpenEye OEToolkits 2.0.5	c1cc(ccc1C[C@@H]([C@H](CO)O)N)O

Name:

(2~{R},3~{S})-3-azanyl-4-(4-hydroxyphenyl)butane-1,2-diol

ZINC:

ZINC000584905191

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).