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BioLiP

PDB CCD ID: CDE
Number of entries in BioLiP: 0
Chemical formula: C5 H13 N
InChI: InChI=1S/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3/t5-/m1/s1
InChIKey: JOZZAIIGWFLONA-RXMQYKEDSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)C(C)N
CACTVS 3.341CC(C)[CH](C)N
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CC(C)[C@@H](C)N
ACDLabs 10.04NC(C)C(C)C
Name:1,2-DIMETHYL-PROPYLAMINE
ZINC: ZINC000002034504
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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