BioLiP

PDB

BioLiP

PDB CCD ID:

C3F

Number of entries in BioLiP:

Chemical formula:

C16 H17 N5 O4

InChI:

InChI=1S/C16H17N5O4/c1-8-6-10-11(7-9(8)2)21(5-3-4-17-16(24)25)13-12(18-10)14(22)20-15(23)19-13/h6-7,17H,3-5H2,1-2H3,(H,24,25)(H,20,22,23)

InChIKey:

SDVCPFDZIJESAH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1cc2N=C3C(=O)NC(=O)N=C3N(CCCNC(O)=O)c2cc1C
ACDLabs 12.01	O=C(O)NCCCN2C3=NC(=O)NC(=O)C3=Nc1cc(c(cc12)C)C
OpenEye OEToolkits 1.9.2	Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CCCNC(=O)O

Name:

3-[7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]propylcarbamic acid

ZINC:

ZINC000095921115

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).