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BioLiP

PDB CCD ID: YWG
Number of entries in BioLiP: 0
Chemical formula: C7 H15 N3 O2
InChI: InChI=1S/C7H15N3O2/c1-5(11)6(8)3-2-4-10-7(9)12/h6H,2-4,8H2,1H3,(H3,9,10,12)/t6-/m0/s1
InChIKey: QCONBSSERWFISK-LURJTMIESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=O)C(CCCNC(=O)N)N
OpenEye OEToolkits 2.0.7CC(=O)[C@H](CCCNC(=O)N)N
CACTVS 3.385CC(=O)[C@@H](N)CCCNC(N)=O
CACTVS 3.385CC(=O)[CH](N)CCCNC(N)=O
ACDLabs 12.01NC(=O)NCCCC(N)C(C)=O
Name:N-[(4S)-4-amino-5-oxohexyl]urea
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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