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BioLiP

PDB CCD ID: HL3
Number of entries in BioLiP: 2
Chemical formula: C8 H12 N2 O2
InChI: InChI=1S/C8H12N2O2/c1-3-6(2)10-5-4-9-7(10)8(11)12/h4-6H,3H2,1-2H3,(H,11,12)/t6-/m1/s1
InChIKey: UXKUKTPAIPSEHC-ZCFIWIBFSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC[C@@H](C)n1ccnc1C(=O)O
CACTVS 3.385CC[CH](C)n1ccnc1C(O)=O
OpenEye OEToolkits 2.0.7CCC(C)n1ccnc1C(=O)O
CACTVS 3.385CC[C@@H](C)n1ccnc1C(O)=O
Name:1-[(2~{R})-butan-2-yl]imidazole-2-carboxylic acid
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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