SEQ2FUN

BioLiP

PDB CCD ID: CZP
Number of entries in BioLiP: 2
Chemical formula: C25 H27 N3 O5
InChI: InChI=1S/C25H27N3O5/c29-19-9-5-17(6-10-19)14-25(33-32)24(31)28-15-22(18-7-11-20(30)12-8-18)26-21(23(28)27-25)13-16-3-1-2-4-16/h5-12,15-16,21,26,29-30,32H,1-4,13-14H2/t21-,25-/m0/s1
InChIKey: XOSFCMOTHZJUQK-OFVILXPXSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OO[C@]1(Cc2ccc(O)cc2)N=C3[C@H](CC4CCCC4)NC(=CN3C1=O)c5ccc(O)cc5
ACDLabs 10.04O=C1N3C=C(NC(C3=NC1(OO)Cc2ccc(O)cc2)CC4CCCC4)c5ccc(O)cc5
CACTVS 3.341OO[C]1(Cc2ccc(O)cc2)N=C3[CH](CC4CCCC4)NC(=CN3C1=O)c5ccc(O)cc5
OpenEye OEToolkits 1.5.0c1cc(ccc1C[C@@]2(C(=O)N3C=C(NC(C3=N2)CC4CCCC4)c5ccc(cc5)O)OO)O
OpenEye OEToolkits 1.5.0c1cc(ccc1CC2(C(=O)N3C=C(NC(C3=N2)CC4CCCC4)c5ccc(cc5)O)OO)O
Name:(8R)-8-(CYCLOPENTYLMETHYL)-2-HYDROPEROXY-2-(4-HYDROXYBENZYL)-6-(4-HYDROXYPHENYL)-7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-3(2H) -ONE;
CP-COELENETERAZINE
DrugBank: DB03960
ZINC: ZINC000103537804
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).