BioLiP

PDB

BioLiP

PDB CCD ID:

4L8

Number of entries in BioLiP:

Chemical formula:

C7 H15 N O2

InChI:

InChI=1S/C7H15NO2/c1-5(2)3-6(4-8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m1/s1

InChIKey:

IAXQYBCPMFDMOJ-ZCFIWIBFSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	CC(C)CC(CN)C(=O)O
CACTVS 3.385	CC(C)C[C@H](CN)C(O)=O
OpenEye OEToolkits 1.9.2	CC(C)C[C@H](CN)C(=O)O
ACDLabs 12.01	C(C(CN)C(O)=O)C(C)C
CACTVS 3.385	CC(C)C[CH](CN)C(O)=O

Name:

(2R)-2-(aminomethyl)-4-methylpentanoic acid

ZINC:

ZINC000040710637

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).