SEQ2FUN

BioLiP

PDB CCD ID: RHM
Number of entries in BioLiP: 0
Chemical formula: C22 H27 N6 Rh
InChI: InChI=1S/C14H8N2.C8H19N4.Rh/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16;1-7(9)5-11-3-4-12-6-8(2)10;/h1-8H;7-11H,3-6H2,1-2H3;/q-2;-3;+7/t;7-,8-;/m.1./s1
InChIKey: QQQIEFXIPDSOEX-IEPZTSNKSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C[C@@H]1CNCCN2C[C@@H](C)N[Rh++]23(N1)N=C4c5ccccc5c6ccccc6C4=N3
OpenEye OEToolkits 1.5.0C[C@@H]1CNCC[N@@]2C[C@H](N[Rh+2]23(N1)N=C4c5ccccc5-c6ccccc6C4=N3)C
OpenEye OEToolkits 1.5.0CC1CNCCN2CC(N[Rh+2]23(N1)N=C4c5ccccc5-c6ccccc6C4=N3)C
ACDLabs 10.04N3=C6c1ccccc1c2ccccc2C6=N[Rh+2]345NC(C)CNCCN5CC(N4)C
CACTVS 3.341C[CH]1CNCCN2C[CH](C)N[Rh++]23(N1)N=C4c5ccccc5c6ccccc6C4=N3
Name:DELTA-ALPHA-RH[2R,9R-DIAMINO-4,7-DIAZADECANE]9,10-PHENANTHRENEQUINONE DIIMINE;
RH(ME2TRIEN)PHI
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).