BioLiP

Zhang Lab

University of Michigan

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BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C8 H11 N

InChI:

InChI=1S/C8H11N/c1-6-3-4-8(9)5-7(6)2/h3-5H,9H2,1-2H3

InChIKey:

DOLQYFPDPKPQSS-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	Nc1cc(c(cc1)C)C
OpenEye OEToolkits 1.5.0	Cc1ccc(cc1C)N
CACTVS 3.341	Cc1ccc(N)cc1C

Name:

3,4-DIMETHYLANILINE

ChEMBL:

DrugBank:

ZINC:

ZINC000003860992

Reference:

Chengxin Zhang, Xi Zhang, Peter L 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).

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