BioLiP

PDB

BioLiP

PDB CCD ID:

VTC

Number of entries in BioLiP:

Chemical formula:

C9 H12 N2 O2

InChI:

InChI=1S/C9H12N2O2/c1-11(2)9(12)13-8-5-3-4-7(10)6-8/h3-6H,10H2,1-2H3

InChIKey:

LKEQZFMJKLCAEA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN(C)C(=O)Oc1cccc(N)c1
OpenEye OEToolkits 2.0.7	CN(C)C(=O)Oc1cccc(c1)N
ACDLabs 12.01	O=C(Oc1cccc(N)c1)N(C)C

Name:

3-aminophenyl dimethylcarbamate

ZINC:

ZINC000000105880

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).