BioLiP

PDB

BioLiP

PDB CCD ID:

2A3

Number of entries in BioLiP:

Chemical formula:

C3 H9 N O

InChI:

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

InChIKey:

BKMMTJMQCTUHRP-GSVOUGTGSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	OCC(N)C
CACTVS 3.370	C[C@@H](N)CO
CACTVS 3.370	C[CH](N)CO
OpenEye OEToolkits 1.7.0	CC(CO)N
OpenEye OEToolkits 1.7.0	C[C@H](CO)N

Name:

(2R)-2-aminopropan-1-ol

ZINC:

ZINC000002004611

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).