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BioLiP

PDB CCD ID: XRX
Number of entries in BioLiP: 32
Chemical formula: C9 H20 N2 O2
InChI: InChI=1S/C9H20N2O2/c1-8(10(2)3)6-7-13-9(12)11(4)5/h8H,6-7H2,1-5H3/t8-/m1/s1
InChIKey: VVGQXMCHKFOTKZ-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CC(CCOC(=O)N(C)C)N(C)C
CACTVS 3.385C[CH](CCOC(=O)N(C)C)N(C)C
ACDLabs 12.01O=C(OCCC(N(C)C)C)N(C)C
CACTVS 3.385
OpenEye OEToolkits 1.9.2		C[C@H](CCOC(=O)N(C)C)N(C)C
Name:3-(dimethylamino)butyl dimethylcarbamate
ChEMBL: CHEMBL2312568
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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