BioLiP

PDB

BioLiP

PDB CCD ID:

9DT

Number of entries in BioLiP:

Chemical formula:

C10 H12 F N O2

InChI:

InChI=1S/C10H12FNO2/c1-10(12,9(13)14)6-7-4-2-3-5-8(7)11/h2-5H,6,12H2,1H3,(H,13,14)/t10-/m0/s1

InChIKey:

MXECDVKIKUSSNC-JTQLQIEISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CC(Cc1ccccc1F)(C(=O)O)N
CACTVS 3.385	C[C@](N)(Cc1ccccc1F)C(O)=O
OpenEye OEToolkits 2.0.6	C[C@](Cc1ccccc1F)(C(=O)O)N
CACTVS 3.385	C[C](N)(Cc1ccccc1F)C(O)=O

Name:

(2~{S})-2-azanyl-3-(2-fluorophenyl)-2-methyl-propanoic acid

ZINC:

ZINC000041207457

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).