BioLiP

PDB

BioLiP

PDB CCD ID:

A1BE7

Number of entries in BioLiP:

Chemical formula:

C11 H15 F N2 O

InChI:

InChI=1S/C11H15FN2O/c1-2-11(15)5-6-14(8-11)10-4-3-9(12)7-13-10/h3-4,7,15H,2,5-6,8H2,1H3/t11-/m1/s1

InChIKey:

OIWCZMXIAXESKW-LLVKDONJSA-N

SMILES:

Software	SMILES
ACDLabs 14.52	Fc1cnc(cc1)N1CCC(O)(C1)CC
OpenEye OEToolkits 3.1.0.0	CC[C@]1(CCN(C1)c2ccc(cn2)F)O
OpenEye OEToolkits 3.1.0.0	CCC1(CCN(C1)c2ccc(cn2)F)O
CACTVS 3.385	CC[C]1(O)CCN(C1)c2ccc(F)cn2
CACTVS 3.385	CC[C@@]1(O)CCN(C1)c2ccc(F)cn2

Name:

(3R)-3-ethyl-1-(5-fluoropyridin-2-yl)pyrrolidin-3-ol

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).