BioLiP

PDB

BioLiP

PDB CCD ID:

S9M

Number of entries in BioLiP:

Chemical formula:

C9 H10 F2 N2 O

InChI:

InChI=1S/C9H10F2N2O/c10-5-3-6(8-1-2-12-13-8)9(14)7(11)4-5/h3-4,8,12-14H,1-2H2

InChIKey:

OZEHKQMLTPTKCZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1c(F)cc(F)cc1[C@H]2CCNN2
ACDLabs 12.01	C2(c1c(O)c(cc(c1)F)F)NNCC2
OpenEye OEToolkits 2.0.7	c1c(cc(c(c1[C@H]2CCNN2)O)F)F
CACTVS 3.385	Oc1c(F)cc(F)cc1[CH]2CCNN2
OpenEye OEToolkits 2.0.7	c1c(cc(c(c1C2CCNN2)O)F)F

Name:

2,4-difluoro-6-[(3S)-pyrazolidin-3-yl]phenol

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).