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BioLiP Library

PDB CCD ID: DIV
Number of entries in BioLiP: 0
Chemical formula: C5 H11 N O2
InChI: InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)/t5-/m1/s1
InChIKey: GCHPUFAZSONQIV-RXMQYKEDSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)(C)CC
OpenEye OEToolkits 1.5.0CCC(C)(C(=O)O)N
OpenEye OEToolkits 1.5.0CC[C@](C)(C(=O)O)N
CACTVS 3.341CC[C](C)(N)C(O)=O
CACTVS 3.341CC[C@@](C)(N)C(O)=O
Name:D-ISOVALINE
DrugBank: DB04171
ZINC: ZINC000000901763
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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