BioLiP

PDB

BioLiP

PDB CCD ID:

O0V

Number of entries in BioLiP:

Chemical formula:

C9 H13 F N2 O

InChI:

InChI=1S/C9H13FN2O/c1-7(6-13)12(2)9-8(10)4-3-5-11-9/h3-5,7,13H,6H2,1-2H3/t7-/m0/s1

InChIKey:

FOQPKOCSXTYZBW-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CC(CO)N(C)c1c(cccn1)F
ACDLabs 12.01	n1c(N(C(C)CO)C)c(ccc1)F
OpenEye OEToolkits 2.0.6	C[C@@H](CO)N(C)c1c(cccn1)F
CACTVS 3.385	C[CH](CO)N(C)c1ncccc1F
CACTVS 3.385	C[C@@H](CO)N(C)c1ncccc1F

Name:

(2S)-2-[(3-fluoropyridin-2-yl)(methyl)amino]propan-1-ol

ZINC:

ZINC000159000310

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).