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BioLiP

PDB CCD ID: NPT
Number of entries in BioLiP: 0
Chemical formula: C5 H13 N
InChI: InChI=1S/C5H13N/c1-5(2,3)4-6/h4,6H2,1-3H3
InChIKey: XDIAMRVROCPPBK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CC(C)(C)CN
ACDLabs 10.04NCC(C)(C)C
Name:NEOPENTYLAMINE
ZINC: ZINC000001648992
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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