BioLiP

PDB

BioLiP

PDB CCD ID:

ZYV

Number of entries in BioLiP:

Chemical formula:

C10 H14 N6 O

InChI:

InChI=1S/C10H14N6O/c11-3-7-4-16(1-2-17-7)10-8-9(13-5-12-8)14-6-15-10/h5-7H,1-4,11H2,(H,12,13,14,15)/t7-/m0/s1

InChIKey:

VNGSDLIBIYNHKQ-ZETCQYMHSA-N

SMILES:

Software	SMILES
CACTVS 3.352	NC[CH]1CN(CCO1)c2ncnc3nc[nH]c23
ACDLabs 10.04	n1cnc3ncnc3c1N2CC(OCC2)CN
CACTVS 3.352	NC[C@H]1CN(CCO1)c2ncnc3nc[nH]c23
OpenEye OEToolkits 1.6.1	c1[nH]c2c(n1)ncnc2N3CCOC(C3)CN
OpenEye OEToolkits 1.6.1	c1[nH]c2c(n1)ncnc2N3CCO[C@H](C3)CN

Name:

1-[(2S)-4-(7H-PURIN-6-YL)MORPHOLIN-2-YL]METHANAMINE;
(4-(9H-PURIN-6-YL)MORPHOLIN-2-YL)METHANAMINE

ZINC:

ZINC000039001860

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).