Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
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 ●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: SL2
Number of entries in BioLiP: 0
Chemical formula: C19 H28 N6 O11 P2
InChI: InChI=1S/C19H28N6O11P2/c1-18(2)6-11(19(3,4)25(18)27)17(26)35-12-5-10(7-33-38(31,32)36-37(28,29)30)34-16(12)24-9-23-13-14(20)21-8-22-15(13)24/h6,8-10,12,16,27H,5,7H2,1-4H3,(H,31,32)(H2,20,21,22)(H2,28,29,30)/t10-,12+,16+/m0/s1
InChIKey: OKZJCCJOTGBQMI-KANYHAFZSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC1(C)C=C(C(=O)O[C@@H]2C[C@@H](CO[P@@](O)(=O)O[P](O)(O)=O)O[C@H]2n3cnc4c(N)ncnc34)C(C)(C)N1O
OpenEye OEToolkits 1.5.0CC1(C=C(C(N1O)(C)C)C(=O)OC2CC(OC2n3cnc4c3ncnc4N)COP(=O)(O)OP(=O)(O)O)C
OpenEye OEToolkits 1.5.0CC1(C=C(C(N1O)(C)C)C(=O)O[C@@H]2C[C@H](O[C@H]2n3cnc4c3ncnc4N)CO[P@](=O)(O)OP(=O)(O)O)C
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC4OC(n2cnc1c(ncnc12)N)C(OC(=O)C3=CC(N(O)C3(C)C)(C)C)C4
CACTVS 3.341CC1(C)C=C(C(=O)O[CH]2C[CH](CO[P](O)(=O)O[P](O)(O)=O)O[CH]2n3cnc4c(N)ncnc34)C(C)(C)N1O
Name:3'-DEOXY-2'-O-(2,2,5,5-TETRAMETHYL-1-OXYL-PYRROLIN-3-YL) ADENOSINE 5'-DIPHOSPHATE
ZINC: ZINC000058661145
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)(download the PDF file).
  • 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).

    • zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417