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BioLiP

PDB CCD ID: 3V8
Number of entries in BioLiP: 0
Chemical formula: C10 H14 N4 O4
InChI: InChI=1S/C10H14N4O4/c15-9(16)2-1-6-5-14(13-12-6)7-3-8(10(17)18)11-4-7/h5,7-8,11H,1-4H2,(H,15,16)(H,17,18)/t7-,8-/m0/s1
InChIKey: HRFDVDAKRKYOIW-YUMQZZPRSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1c(nnn1[C@H]2C[C@H](NC2)C(=O)O)CCC(=O)O
CACTVS 3.385OC(=O)CCc1cn(nn1)[CH]2CN[CH](C2)C(O)=O
ACDLabs 12.01O=C(O)C2NCC(n1nnc(c1)CCC(=O)O)C2
CACTVS 3.385OC(=O)CCc1cn(nn1)[C@@H]2CN[C@@H](C2)C(O)=O
OpenEye OEToolkits 1.9.2c1c(nnn1C2CC(NC2)C(=O)O)CCC(=O)O
Name:(4S)-4-[4-(2-carboxyethyl)-1H-1,2,3-triazol-1-yl]-L-proline
ZINC: ZINC000263620529
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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