BioLiP

PDB

BioLiP

PDB CCD ID:

6KY

Number of entries in BioLiP:

Chemical formula:

C7 H15 N O2 Se

InChI:

InChI=1S/C7H15NO2Se/c1-8(2)6(7(9)10)4-5-11-3/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m0/s1

InChIKey:

HLLONANTKRYYCG-LURJTMIESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	CN(C)C(CC[Se]C)C(=O)O
CACTVS 3.385	C[Se]CC[C@H](N(C)C)C(O)=O
OpenEye OEToolkits 2.0.4	CN(C)[C@@H](CC[Se]C)C(=O)O
CACTVS 3.385	C[Se]CC[CH](N(C)C)C(O)=O
ACDLabs 12.01	N(C)(C(CC[Se]C)C(=O)O)C

Name:

(2S)-2-(dimethylamino)-4-(methylselanyl)butanoic acid

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).