BioLiP

PDB

BioLiP

PDB CCD ID:

11G

Number of entries in BioLiP:

Chemical formula:

C14 H20 N4 O

InChI:

InChI=1S/C14H20N4O/c1-3-11-14(19)17(2)12-8-15-9-16-13(12)18(11)10-6-4-5-7-10/h8-11H,3-7H2,1-2H3/t11-/m1/s1

InChIKey:

WQXIWGBBMQMEGH-LLVKDONJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CCC1C(=O)N(c2cncnc2N1C3CCCC3)C
CACTVS 3.370	CC[CH]1N(C2CCCC2)c3ncncc3N(C)C1=O
ACDLabs 12.01	O=C1N(c3cncnc3N(C1CC)C2CCCC2)C
OpenEye OEToolkits 1.7.6	CC[C@@H]1C(=O)N(c2cncnc2N1C3CCCC3)C
CACTVS 3.370	CC[C@H]1N(C2CCCC2)c3ncncc3N(C)C1=O

Name:

(7R)-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydropteridin-6(5H)-one

ZINC:

ZINC000095921026

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).