BioLiP

PDB

BioLiP

PDB CCD ID:

CF4

Number of entries in BioLiP:

Chemical formula:

C17 H19 N5 O4

InChI:

InChI=1S/C17H19N5O4/c1-9-7-11-12(8-10(9)2)22(6-4-3-5-18-17(25)26)14-13(19-11)15(23)21-16(24)20-14/h7-8,18H,3-6H2,1-2H3,(H,25,26)(H,21,23,24)

InChIKey:

PXQGNCDJBRBLMJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CCCCNC(=O)O
ACDLabs 10.04	O=C2C3=Nc1cc(c(cc1N(C3=NC(=O)N2)CCCCNC(=O)O)C)C
CACTVS 3.341	Cc1cc2N=C3C(=O)NC(=O)N=C3N(CCCCNC(O)=O)c2cc1C

Name:

[4-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)butyl]carbamic acid

ZINC:

ZINC000058638346

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).