SEQ2FUN

BioLiP

PDB CCD ID: MF2
Number of entries in BioLiP: 1
Chemical formula: C15 H30 N2 O2
InChI: InChI=1S/C15H30N2O2/c1-14-11-17(12-15(2)19-14)10-8-6-4-3-5-7-9-16-13-18/h13-15H,3-12H2,1-2H3,(H,16,18)/t14-,15+
InChIKey: UXVBAZRPAJEAHR-GASCZTMLSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=CNCCCCCCCCN1CC(OC(C)C1)C
OpenEye OEToolkits 1.5.0CC1CN(CC(O1)C)CCCCCCCCNC=O
CACTVS 3.341C[C@@H]1CN(CCCCCCCCNC=O)C[C@H](C)O1
OpenEye OEToolkits 1.5.0C[C@@H]1CN(C[C@@H](O1)C)CCCCCCCCNC=O
CACTVS 3.341C[CH]1CN(CCCCCCCCNC=O)C[CH](C)O1
Name:CIS-2,6-DIMETHYLMORPHOLINOOCTYLCARBAMYLESEROLINE;
MF268
DrugBank: DB04021
ZINC: ZINC000012504100
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).