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BioLiP

PDB CCD ID: URQ
Number of entries in BioLiP: 1
Chemical formula: C5 H10 N2 O3
InChI: InChI=1S/C5H10N2O3/c1-3(4(8)9)2-7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10)/t3-/m0/s1
InChIKey: PHENTZNALBMCQD-VKHMYHEASA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[CH](CNC(N)=O)C(O)=O
ACDLabs 12.01O=C(NCC(C(=O)O)C)N
OpenEye OEToolkits 1.7.6CC(CNC(=O)N)C(=O)O
OpenEye OEToolkits 1.7.6C[C@@H](CNC(=O)N)C(=O)O
CACTVS 3.385C[C@@H](CNC(N)=O)C(O)=O
Name:(2S)-3-(carbamoylamino)-2-methylpropanoic acid
ZINC: ZINC000094437770
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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