BioLiP

PDB

BioLiP

PDB CCD ID:

VQ6

Number of entries in BioLiP:

Chemical formula:

C11 H11 F2 N O2

InChI:

InChI=1S/C11H11F2NO2/c12-7-2-1-3-8(13)9(7)10(11(15)16)14-6-4-5-6/h1-3,6,10,14H,4-5H2,(H,15,16)/t10-/m1/s1

InChIKey:

LLCVJLSDVSYPMV-SNVBAGLBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(c(c(c1)F)C(C(=O)O)NC2CC2)F
ACDLabs 12.01	OC(=O)C(NC1CC1)c1c(F)cccc1F
CACTVS 3.385	OC(=O)[C@H](NC1CC1)c2c(F)cccc2F
CACTVS 3.385	OC(=O)[CH](NC1CC1)c2c(F)cccc2F
OpenEye OEToolkits 2.0.7	c1cc(c(c(c1)F)[C@H](C(=O)O)NC2CC2)F

Name:

(2R)-(cyclopropylamino)(2,6-difluorophenyl)acetic acid

ZINC:

ZINC000037183603

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).