Home Research COVID-19 Services Publications People Teaching Job Opening News Forum --> -->
Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

BioLiP

PDB CCD ID: X2B
Number of entries in BioLiP: 1
Chemical formula: C56 H43 Ir N7 O2
InChI: InChI=1S/C26H23N5O2.2C15H10N.Ir/c32-25(21-6-2-1-3-7-21)31-24(16-19-11-14-27-15-12-19)26(33)30-18-20-9-10-23(29-17-20)22-8-4-5-13-28-22;2*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;/h1-15,17,24H,16,18H2,(H,30,33)(H,31,32);2*1-6,8-11H;/q;;;+1/t24-;;;/m0.../s1
InChIKey: BFGVORUPINRCOM-VRMKZKMYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)C(=O)N[C@@H](Cc2ccncc2)C(=O)NCC3=C[N]4=C(C=C3)C5=[N]([Ir+]467(c8ccccc8C9=[N]6c1ccccc1C=C9)c1ccccc1C1=CC=C2C=CC=CC2=[N]71)C=CC=C5
OpenEye OEToolkits 2.0.7c1ccc(cc1)C(=O)NC(Cc2ccncc2)C(=O)NCC3=C[N]4=C(C=C3)C5=[N]([Ir+]467(c8ccccc8C9=[N]6c1ccccc1C=C9)c1ccccc1C1=CC=C2C=CC=CC2=[N]71)C=CC=C5
CACTVS 3.385O=C(NCc1ccc(nc1)c2ccccn2)[CH](Cc3ccncc3)NC(=O)c4ccccc4.[Ir+](c5ccccc5c6ccc7ccccc7n6)c8ccccc8c9ccc%10ccccc%10n9
CACTVS 3.385O=C(NCc1ccc(nc1)c2ccccn2)[C@H](Cc3ccncc3)NC(=O)c4ccccc4.[Ir+](c5ccccc5c6ccc7ccccc7n6)c8ccccc8c9ccc%10ccccc%10n9
ACDLabs 12.01O=C(NCc1ccc2c3ccccn3[Ir+]34(c5ccccc5c5ccc6ccccc6n53)(c3ccccc3c3ccc5ccccc5n34)n2c1)C(NC(=O)c1ccccc1)Cc1ccncc1
Name:{N-[1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]benzamide}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

    • yangzhanglabumich.edu | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218