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BioLiP

PDB CCD ID: UGL
Number of entries in BioLiP: 2
Chemical formula: C9 H13 N3 O3
InChI: InChI=1S/C9H13N3O3/c1-6(2-3-8(13)14)11-9(15)7-4-5-10-12-7/h4-6H,2-3H2,1H3,(H,10,12)(H,11,15)(H,13,14)/t6-/m1/s1
InChIKey: RSKBJUVHKFRVMZ-ZCFIWIBFSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(CCC(=O)O)NC(=O)c1cc[nH]n1
CACTVS 3.385C[CH](CCC(O)=O)NC(=O)c1cc[nH]n1
CACTVS 3.385C[C@H](CCC(O)=O)NC(=O)c1cc[nH]n1
OpenEye OEToolkits 2.0.7C[C@H](CCC(=O)O)NC(=O)c1cc[nH]n1
Name:(4~{R})-4-(1~{H}-pyrazol-3-ylcarbonylamino)pentanoic 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).
  • 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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