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BioLiP

PDB CCD ID: ZYU
Number of entries in BioLiP: 1
Chemical formula: C9 H11 N5 O
InChI: InChI=1S/C9H11N5O/c1-3-15-4-2-14(1)9-7-8(11-5-10-7)12-6-13-9/h5-6H,1-4H2,(H,10,11,12,13)
InChIKey: MEOMXKNIFWDDGZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352C1CN(CCO1)c2ncnc3[nH]cnc23
ACDLabs 10.04n2cnc1c(ncn1)c2N3CCOCC3
OpenEye OEToolkits 1.6.1c1[nH]c2c(n1)c(ncn2)N3CCOCC3
Name:6-MORPHOLIN-4-YL-9H-PURINE;
4-(9H-PURIN-6-YL)MORPHOLINE
ChEMBL: CHEMBL271138
DrugBank: DB08780
ZINC: ZINC000018107770
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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