BioLiP

PDB

BioLiP

PDB CCD ID:

F2M

Number of entries in BioLiP:

Chemical formula:

C9 H13 N O

InChI:

InChI=1S/C9H13NO/c1-3-6-10(2)8-9-5-4-7-11-9/h3-7H,8H2,1-2H3/b6-3+

InChIKey:

DBDADMSUVDNQKI-ZZXKWVIFSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C\C=C\N(C)Cc1occc1
CACTVS 3.385	CC=CN(C)Cc1occc1
OpenEye OEToolkits 2.0.6	C/C=C/N(C)Cc1ccco1
OpenEye OEToolkits 2.0.6	CC=CN(C)Cc1ccco1

Name:

(~{E})-~{N}-(furan-2-ylmethyl)-~{N}-methyl-prop-1-en-1-amine;
F2MPA

ZINC:

ZINC000584905538

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).