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BioLiP

PDB CCD ID: 46Q
Number of entries in BioLiP: 2
Chemical formula: C9 H20 N2 O
InChI: InChI=1S/C9H20N2O/c1-3-9(2,8-10)11-4-6-12-7-5-11/h3-8,10H2,1-2H3/t9-/m1/s1
InChIKey: RNGALZNABGSEIF-SECBINFHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC[C](C)(CN)N1CCOCC1
CACTVS 3.385
OpenEye OEToolkits 1.9.2		CC[C@](C)(CN)N1CCOCC1
OpenEye OEToolkits 1.9.2CCC(C)(CN)N1CCOCC1
ACDLabs 12.01O1CCN(C(CN)(C)CC)CC1
Name:(2R)-2-methyl-2-(morpholin-4-yl)butan-1-amine
ZINC: ZINC000019413947
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)(download the PDF file).
  • 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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