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: U45
Number of entries in BioLiP: 1
Chemical formula: C24 H20 N4 O3
InChI: InChI=1S/C24H20N4O3/c25-23(30)22-18-9-1-2-10-19(18)24(31)28(26-22)14-15(29)13-27-20-11-5-3-7-16(20)17-8-4-6-12-21(17)27/h1-12,15,29H,13-14H2,(H2,25,30)/t15-/m1/s1
InChIKey: GAPCICIYPZRQFH-OAHLLOKOSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=O)C1=NN(C[C@H](O)Cn2c3ccccc3c4ccccc24)C(=O)c5ccccc15
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c3ccccc3n2C[C@H](CN4C(=O)c5ccccc5C(=N4)C(=O)N)O
CACTVS 3.385NC(=O)C1=NN(C[CH](O)Cn2c3ccccc3c4ccccc24)C(=O)c5ccccc15
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c3ccccc3n2CC(CN4C(=O)c5ccccc5C(=N4)C(=O)N)O
Name:3-[(2~{R})-3-carbazol-9-yl-2-oxidanyl-propyl]-4-oxidanylidene-phthalazine-1-carboxamide
ZINC: ZINC000032909538
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).

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