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: FF0
Number of entries in BioLiP: 0
Chemical formula: C19 H26 N2 O
InChI: InChI=1S/C19H26N2O/c20-18(14-17-10-5-2-6-11-17)19(22)15-21-13-7-12-16-8-3-1-4-9-16/h1-6,8-11,18-19,21-22H,7,12-15,20H2/t18-,19+/m0/s1
InChIKey: NRTSLRUGZPIIHM-RBUKOAKNSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01OC(C(N)Cc1ccccc1)CNCCCc2ccccc2
OpenEye OEToolkits 1.7.2c1ccc(cc1)CCCNC[C@H]([C@H](Cc2ccccc2)N)O
CACTVS 3.370N[C@@H](Cc1ccccc1)[C@H](O)CNCCCc2ccccc2
CACTVS 3.370N[CH](Cc1ccccc1)[CH](O)CNCCCc2ccccc2
OpenEye OEToolkits 1.7.2c1ccc(cc1)CCCNCC(C(Cc2ccccc2)N)O
Name:(2R,3S)-3-amino-4-phenyl-1-[(3-phenylpropyl)amino]butan-2-ol
ZINC: ZINC000098208882
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