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BioLiP

PDB CCD ID: GPN
Number of entries in BioLiP: 0
Chemical formula: C11 H16 N7 O4
InChI: InChI=1S/C11H15N7O4/c12-1-2-17(4-7(20)21)6(19)3-18-5-14-8-9(18)15-11(13)16-10(8)22/h5H,1-4,12H2,(H,20,21)(H3,13,15,16,22)/p+1
InChIKey: WYRWRGIGYVLOGE-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
CACTVS 3.370NC1=Nc2n(CC(=O)N(CC[NH3+])CC(O)=O)cnc2C(=O)N1
OpenEye OEToolkits 1.7.0c1nc2c(n1CC(=O)N(CC[NH3+])CC(=O)O)N=C(NC2=O)N
ACDLabs 12.01O=C(O)CN(C(=O)Cn1c2N=C(NC(=O)c2nc1)N)CC[NH3+]
Name:2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE
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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