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BioLiP

PDB CCD ID: 4L8
Number of entries in BioLiP: 0
Chemical formula: C7 H15 N O2
InChI: InChI=1S/C7H15NO2/c1-5(2)3-6(4-8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m1/s1
InChIKey: IAXQYBCPMFDMOJ-ZCFIWIBFSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CC(C)CC(CN)C(=O)O
CACTVS 3.385CC(C)C[C@H](CN)C(O)=O
OpenEye OEToolkits 1.9.2CC(C)C[C@H](CN)C(=O)O
ACDLabs 12.01C(C(CN)C(O)=O)C(C)C
CACTVS 3.385CC(C)C[CH](CN)C(O)=O
Name:(2R)-2-(aminomethyl)-4-methylpentanoic acid
ZINC: ZINC000040710637
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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