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: 576
Number of entries in BioLiP: 2
Chemical formula: C18 H18 O3
InChI: InChI=1S/C18H18O3/c19-15(11-18(20)21)7-5-12-6-8-17-14(9-12)10-13-3-1-2-4-16(13)17/h1-4,6,8-9,15,19H,5,7,10-11H2,(H,20,21)/t15-/m0/s1
InChIKey: QNNGXIOOEUXOPM-HNNXBMFYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1c1ccc-2c(c1)Cc3c2ccc(c3)CC[C@@H](CC(=O)O)O
CACTVS 3.352O[C@@H](CCc1ccc2c(Cc3ccccc23)c1)CC(O)=O
OpenEye OEToolkits 1.6.1c1ccc-2c(c1)Cc3c2ccc(c3)CCC(CC(=O)O)O
ACDLabs 10.04O=C(O)CC(O)CCc3ccc2c1ccccc1Cc2c3
CACTVS 3.352O[CH](CCc1ccc2c(Cc3ccccc23)c1)CC(O)=O
Name:(3S)-5-(9H-FLUOREN-2-YL)-3-HYDROXYPENTANOIC ACID
ZINC: ZINC000058627012
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