SEQ2FUN

BioLiP

PDB CCD ID: 7AL
Number of entries in BioLiP: 0
Chemical formula: C20 H30 Cl N O4
InChI: InChI=1S/C20H30ClNO4/c1-10-13(6-15(24)12-5-17(25)22-18(12)26)20(4)9-11(21)8-19(2,3)16(20)7-14(10)23/h11-16,23-24H,1,5-9H2,2-4H3,(H,22,25,26)/t11-,12+,13-,14-,15-,16-,20+/m0/s1
InChIKey: LCBZIVZSFYGPBC-LWHFJPTFSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC1(CC(CC2(C1CC(C(=C)C2CC(C3CC(=O)NC3=O)O)O)C)Cl)C
OpenEye OEToolkits 2.0.6C[C@]12C[C@H](CC([C@@H]1C[C@@H](C(=C)[C@@H]2C[C@@H]([C@H]3CC(=O)NC3=O)O)O)(C)C)Cl
ACDLabs 12.01OC(CC2C1(C(C(C)(C)CC(C1)Cl)CC(O)\C2=C)C)C3CC(NC3=O)=O
CACTVS 3.385CC1(C)C[CH](Cl)C[C]2(C)[CH](C[CH](O)[CH]3CC(=O)NC3=O)C(=C)[CH](O)C[CH]12
CACTVS 3.385CC1(C)C[C@H](Cl)C[C@]2(C)[C@@H](C[C@H](O)[C@H]3CC(=O)NC3=O)C(=C)[C@@H](O)C[C@@H]12
Name:Chlorolissoclimide
ChEMBL: CHEMBL514096
ZINC: ZINC000005762419
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).