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BioLiP

PDB CCD ID: DCL
Number of entries in BioLiP: 5
Chemical formula: C6 H15 N O
InChI: InChI=1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m0/s1
InChIKey: VPSSPAXIFBTOHY-LURJTMIESA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CC(C)C[CH](N)CO
CACTVS 3.370CC(C)C[C@H](N)CO
OpenEye OEToolkits 1.7.2CC(C)C[C@@H](CO)N
OpenEye OEToolkits 1.7.2CC(C)CC(CO)N
ACDLabs 12.01OCC(N)CC(C)C
Name:2-AMINO-4-METHYL-PENTAN-1-OL;
LEUCINOL
ChEMBL: CHEMBL1232141
ZINC: ZINC000000391149
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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