BioLiP

PDB

BioLiP

PDB CCD ID:

ZV8

Number of entries in BioLiP:

Chemical formula:

C11 H17 N3

InChI:

InChI=1S/C11H17N3/c1-11(2,3)10-13-7-8-6-12-5-4-9(8)14-10/h7,12H,4-6H2,1-3H3

InChIKey:

TXNXUFABOGCLLO-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01 CACTVS 3.385	CC(C)(C)c1ncc2CNCCc2n1
OpenEye OEToolkits 2.0.7	CC(C)(C)c1ncc2c(n1)CCNC2

Name:

2-tert-butyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

ZINC:

ZINC000095910876

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).