BioLiP

PDB

BioLiP

PDB CCD ID:

A1C0G

Number of entries in BioLiP:

Chemical formula:

C12 H17 N3

InChI:

InChI=1S/C12H17N3/c1-8-6-7-15(8)12-13-9(2)10-4-3-5-11(10)14-12/h8H,3-7H2,1-2H3/t8-/m0/s1

InChIKey:

IUKLVJUZABBPPR-QMMMGPOBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	Cc1c2c(nc(n1)N3CCC3C)CCC2
CACTVS 3.385	C[CH]1CCN1c2nc(C)c3CCCc3n2
OpenEye OEToolkits 3.1.0.0	Cc1c2c(nc(n1)N3CC[C@@H]3C)CCC2
CACTVS 3.385	C[C@H]1CCN1c2nc(C)c3CCCc3n2
ACDLabs 14.52	Cc1nc(nc2CCCc21)N1CCC1C

Name:

4-methyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine

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).