BioLiP

PDB

BioLiP

PDB CCD ID:

FKL

Number of entries in BioLiP:

Chemical formula:

C24 H27 N5 O3

InChI:

InChI=1S/C24H27N5O3/c1-14-3-4-15(22(30)26-17-5-6-17)11-19(14)20-12-16-13-25-24(27-18-7-9-32-10-8-18)28-21(16)29(2)23(20)31/h3-4,11-13,17-18H,5-10H2,1-2H3,(H,26,30)(H,25,27,28)

InChIKey:

HYTAHRCKAXESOF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	Cc1ccc(cc1C2=Cc3cnc(nc3N(C2=O)C)NC4CCOCC4)C(=O)NC5CC5
CACTVS 3.341	CN1C(=O)C(=Cc2cnc(NC3CCOCC3)nc12)c4cc(ccc4C)C(=O)NC5CC5
ACDLabs 10.04	O=C(NC1CC1)c2cc(c(cc2)C)C=4C(=O)N(c3nc(ncc3C=4)NC5CCOCC5)C

Name:

N-cyclopropyl-4-methyl-3-[8-methyl-7-oxo-2-(tetrahydro-2H-pyran-4-ylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]benzamide

ChEMBL:

CHEMBL1232751

ZINC:

ZINC000058632370

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).