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BioLiP

PDB CCD ID: ZYV
Number of entries in BioLiP: 1
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:
SoftwareSMILES
CACTVS 3.352NC[CH]1CN(CCO1)c2ncnc3nc[nH]c23
ACDLabs 10.04n1cnc3ncnc3c1N2CC(OCC2)CN
CACTVS 3.352NC[C@H]1CN(CCO1)c2ncnc3nc[nH]c23
OpenEye OEToolkits 1.6.1c1[nH]c2c(n1)ncnc2N3CCOC(C3)CN
OpenEye OEToolkits 1.6.1c1[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, Peter L 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).

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