SEQ2FUN

BioLiP

PDB CCD ID: BCM
Number of entries in BioLiP: 6
Chemical formula: C12 H18 N2 O7
InChI: InChI=1S/C12H18N2O7/c1-6-3-4-21-12(7(16)10(2,19)5-15)9(18)13-11(6,20)8(17)14-12/h7,15-16,19-20H,1,3-5H2,2H3,(H,13,18)(H,14,17)/t7-,10-,11+,12-/m0/s1
InChIKey: WOUDXEYYJPOSNE-VKZDFBPFSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C2NC1(OCCC(=C)\C2(O)NC1=O)C(O)C(O)(C)CO
CACTVS 3.341C[C@](O)(CO)[C@H](O)[C@@]12NC(=O)[C@@](O)(NC1=O)C(=C)CCO2
OpenEye OEToolkits 1.5.0C[C@](CO)([C@@H]([C@@]12C(=O)N[C@@](C(=C)CCO1)(C(=O)N2)O)O)O
CACTVS 3.341C[C](O)(CO)[CH](O)[C]12NC(=O)[C](O)(NC1=O)C(=C)CCO2
OpenEye OEToolkits 1.5.0CC(CO)(C(C12C(=O)NC(C(=C)CCO1)(C(=O)N2)O)O)O
Name:BICYCLOMYCIN
ChEMBL: CHEMBL1231250
ZINC: ZINC000001481737
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).