BioLiP

PDB

BioLiP

PDB CCD ID:

MFG

Number of entries in BioLiP:

Chemical formula:

C11 H12 F N

InChI:

InChI=1S/C11H12FN/c1-9(8-13)2-3-10-4-6-11(12)7-5-10/h4-8,13H,1-3H2/b13-8+

InChIKey:

CFVUPEQWSFCCFT-MDWZMJQESA-N

SMILES:

Software	SMILES
ACDLabs 10.04	Fc1ccc(cc1)CCC(=C)/C=[N@H]
OpenEye OEToolkits 1.5.0	[H]N=CC(=C)CCc1ccc(cc1)F
CACTVS 3.341	Fc1ccc(CCC(=C)C=N)cc1
OpenEye OEToolkits 1.5.0	[H]/N=C/C(=C)CCc1ccc(cc1)F

Name:

(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-1-IMINE

DrugBank:

DB08176

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).