BioLiP

PDB

BioLiP

PDB CCD ID:

J3K

Number of entries in BioLiP:

Chemical formula:

C3 H9 N O

InChI:

InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/t3-/m1/s1

InChIKey:

HXKKHQJGJAFBHI-GSVOUGTGSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[CH](O)CN
CACTVS 3.385	C[C@@H](O)CN
OpenEye OEToolkits 2.0.6	C[C@H](CN)O
OpenEye OEToolkits 2.0.6	CC(CN)O

Name:

(2~{R})-1-azanylpropan-2-ol

ZINC:

ZINC000004658588

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).