BioLiP

PDB

BioLiP

PDB CCD ID:

BYJ

Number of entries in BioLiP:

Chemical formula:

C18 H25 N3

InChI:

InChI=1S/C18H25N3/c1-14-11-17(21-18(19)12-14)9-8-16-6-3-5-15(13-16)7-4-10-20-2/h3,5-6,11-13,20H,4,7-10H2,1-2H3,(H2,19,21)

InChIKey:

CUTMJYPBBFYFJH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cc1cc(nc(c1)N)CCc2cccc(c2)CCCNC
CACTVS 3.385	CNCCCc1cccc(CCc2cc(C)cc(N)n2)c1
ACDLabs 12.01	Nc1cc(C)cc(n1)CCc2cccc(c2)CCCNC

Name:

4-methyl-6-(2-{3-[3-(methylamino)propyl]phenyl}ethyl)pyridin-2-amine

ChEMBL:

CHEMBL4103382

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).