BioLiP

PDB

BioLiP

PDB CCD ID:

E3Y

Number of entries in BioLiP:

Chemical formula:

C17 H15 Cl N4 O

InChI:

InChI=1S/C17H15ClN4O/c1-23-12-6-7-14-11(10-12)4-3-9-22(14)16-13-5-2-8-19-15(13)20-17(18)21-16/h2,5-8,10H,3-4,9H2,1H3

InChIKey:

HAZYKJFAXKILAD-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	COc1ccc2c(c1)CCCN2c3c4cccnc4nc(n3)Cl
CACTVS 3.385	COc1ccc2N(CCCc2c1)c3nc(Cl)nc4ncccc34
ACDLabs 12.01	c2(nc1ncccc1c(n2)N4c3ccc(cc3CCC4)OC)Cl

Name:

2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[2,3-d]pyrimidine

ChEMBL:

CHEMBL4102788

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).