SEQ2FUN

BioLiP

PDB CCD ID: S65
Number of entries in BioLiP: 1
Chemical formula: C10 H5 Cl7 O
InChI: InChI=1S/C10H5Cl7O/c11-3-1-2(4-5(3)18-4)9(15)7(13)6(12)8(1,14)10(9,16)17/h1-5H/t1-,2+,3+,4+,5-,8+,9-/m0/s1
InChIKey: ZXFXBSWRVIQKOD-WOBUKFROSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C12C(C(C3C1O3)Cl)C4(C(=C(C2(C4(Cl)Cl)Cl)Cl)Cl)Cl
CACTVS 3.385Cl[C@H]1[C@@H]2O[C@@H]2[C@H]3[C@@H]1[C@@]4(Cl)C(=C(Cl)[C@]3(Cl)C4(Cl)Cl)Cl
OpenEye OEToolkits 2.0.7[C@@H]12[C@@H]([C@H]([C@H]3[C@@H]1O3)Cl)[C@]4(C(=C([C@@]2(C4(Cl)Cl)Cl)Cl)Cl)Cl
CACTVS 3.385Cl[CH]1[CH]2O[CH]2[CH]3[CH]1[C]4(Cl)C(=C(Cl)[C]3(Cl)C4(Cl)Cl)Cl
Name:heptachlor endo-epoxide;
(1aR,1bR,5aS,6R,6aR)-2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-2H-2,5-methanoindeno[1,2-b]oxirene
ZINC: ZINC000002382701
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).