BioLiP

PDB

BioLiP

PDB CCD ID:

TBB

Number of entries in BioLiP:

Chemical formula:

C5 H11 N O2

InChI:

InChI=1S/C5H11NO2/c1-5(2,3)6-4(7)8/h6H,1-3H3,(H,7,8)

InChIKey:

XBXCNNQPRYLIDE-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)NC(C)(C)C
OpenEye OEToolkits 1.7.6	CC(C)(C)NC(=O)O
CACTVS 3.370	CC(C)(C)NC(O)=O

Name:

tert-butylcarbamic acid

ZINC:

ZINC000059077770

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).