SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C18 H25 F N4

InChI:

InChI=1S/C18H25FN4/c1-13-8-16(22-18(20)9-13)5-4-14-10-15(19)12-17(11-14)23(3)7-6-21-2/h8-12,21H,4-7H2,1-3H3,(H2,20,22)

InChIKey:

ZVNKMLXKHZSKMN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CNCCN(C)c1cc(F)cc(CCc2cc(C)cc(N)n2)c1
OpenEye OEToolkits 1.7.6	Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)N(C)CCNC

Name:

N1-(3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-FLUOROPHENYL)-N1,N2-DIMETHYLETHANE-1,2-DIAMINE

ChEMBL:

ZINC:

ZINC000263621367

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).