SEQ2FUN

BioLiP

PDB CCD ID: C5E
Number of entries in BioLiP: 8
Chemical formula: C11 H14 N2 O
InChI: InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m0/s1
InChIKey: ANJTVLIZGCUXLD-DTWKUNHWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1[C@H]2CNC[C@@H]1C3=CC=CC(=O)N3C2
ACDLabs 12.01O=C1C=CC=C2N1CC3CNCC2C3
CACTVS 3.370O=C1C=CC=C2[CH]3CNC[CH](C3)CN12
OpenEye OEToolkits 1.7.6C1C2CNCC1C3=CC=CC(=O)N3C2
CACTVS 3.370O=C1C=CC=C2[C@H]3CNC[C@H](C3)CN12
Name:(1R,5S)-1,2,3,4,5,6-HEXAHYDRO-8H-1,5-METHANOPYRIDO[1,2-A][1,5]DIAZOCIN-8-ONE;
CYTISINE
ChEMBL: CHEMBL497939
DrugBank: DB09028
ZINC: ZINC000001599730
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).