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BioLiP

PDB CCD ID: IIC
Number of entries in BioLiP: 0
Chemical formula: C11 H15 N5 O4
InChI: InChI=1S/C11H15N5O4/c12-7(4-17)10-15-8(1-6-2-13-5-14-6)11(20)16(10)3-9(18)19/h2,5,7,10,17H,1,3-4,12H2,(H,13,14)(H,18,19)/t7-,10-/m0/s1
InChIKey: ZUHFMWFOPOTPRB-XVKPBYJWSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341N[C@@H](CO)[C@H]1N=C(Cc2[nH]cnc2)C(=O)N1CC(O)=O
ACDLabs 10.04O=C1C(=NC(N1CC(=O)O)C(N)CO)Cc2cncn2
CACTVS 3.341N[CH](CO)[CH]1N=C(Cc2[nH]cnc2)C(=O)N1CC(O)=O
OpenEye OEToolkits 1.5.0c1c([nH]cn1)CC2=NC(N(C2=O)CC(=O)O)C(CO)N
OpenEye OEToolkits 1.5.0c1c([nH]cn1)CC2=NC(N(C2=O)CC(=O)O)[C@H](CO)N
Name:4-IMIDAZOLMETHYLENE-5-IMIDAZOLONE CHROMOPHORE
DrugBank: DB02356
ZINC: ZINC000103546037
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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