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BioLiP Library

PDB CCD ID: 4FV
Number of entries in BioLiP: 1
Chemical formula: C8 H12 N4 O3
InChI: InChI=1S/C8H12N4O3/c9-7-6(11-15-12-7)8(14)10-4-1-2-5(13)3-4/h4-5,13H,1-3H2,(H2,9,12)(H,10,14)/t4-,5+/m1/s1
InChIKey: UDKGUOUTPCVPOO-UHNVWZDZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2C1CC(CC1NC(=O)c2c(non2)N)O
OpenEye OEToolkits 1.9.2C1C[C@@H](C[C@@H]1NC(=O)c2c(non2)N)O
CACTVS 3.385Nc1nonc1C(=O)N[CH]2CC[CH](O)C2
CACTVS 3.385Nc1nonc1C(=O)N[C@@H]2CC[C@H](O)C2
ACDLabs 12.01c1(c(non1)N)C(=O)NC2CCC(C2)O
Name:4-amino-N-[(1R,3S)-3-hydroxycyclopentyl]-1,2,5-oxadiazole-3-carboxamide
ZINC: ZINC000584905039
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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