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BioLiP

PDB CCD ID: 6CS
Number of entries in BioLiP: 5
Chemical formula: C6 H10 N2 O3
InChI: InChI=1S/C6H10N2O3/c1-3-7-2-4(9)5(8-3)6(10)11/h4-5,9H,2H2,1H3,(H,7,8)(H,10,11)/t4-,5-/m0/s1
InChIKey: KIIBBJKLKFTNQO-WHFBIAKZSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)C1N=C(NCC1O)C
OpenEye OEToolkits 1.5.0CC1=NC(C(CN1)O)C(=O)O
OpenEye OEToolkits 1.5.0CC1=N[C@@H]([C@H](CN1)O)C(=O)O
CACTVS 3.341CC1=N[CH]([CH](O)CN1)C(O)=O
CACTVS 3.341CC1=N[C@@H]([C@@H](O)CN1)C(O)=O
Name:(4S,5S)-5-HYDROXY-2-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID
ChEMBL: CHEMBL1230488
ZINC: ZINC000004521578
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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