BioLiP

PDB

BioLiP

PDB CCD ID:

OSY

Number of entries in BioLiP:

Chemical formula:

C17 H17 N3

InChI:

InChI=1S/C17H17N3/c1-11-8-17(19)20-16-9-14(6-7-15(11)16)13-4-2-12(10-18)3-5-13/h2-9H,10,18H2,1H3,(H2,19,20)

InChIKey:

ODOXISOTMVXLOX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CN)N
ACDLabs 12.01	NCc1ccc(cc1)c2ccc3c(C)cc(N)nc3c2
CACTVS 3.385	Cc1cc(N)nc2cc(ccc12)c3ccc(CN)cc3

Name:

7-[4-(aminomethyl)phenyl]-4-methylquinolin-2-amine

ChEMBL:

CHEMBL4596884

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).