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: 4YQ
Number of entries in BioLiP: 5
Chemical formula: C19 H26 N2 O4 S
InChI: InChI=1S/C19H26N2O4S/c22-3-4-25-18-21-15(11-1-2-11)16(26-18)17(23)20-14-12-5-10-6-13(14)9-19(24,7-10)8-12/h10-14,22,24H,1-9H2,(H,20,23)/t10-,12-,13+,14-,19-
InChIKey: NJXRHIKVLFLBME-WCUHCKLXSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2C1CC1c2c(sc(n2)OCCO)C(=O)NC3C4CC5CC3CC(C5)(C4)O
CACTVS 3.385OCCOc1sc(C(=O)NC2[CH]3CC4C[CH]2CC(O)(C4)C3)c(n1)C5CC5
OpenEye OEToolkits 1.9.2C1CC1c2c(sc(n2)OCCO)C(=O)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O
CACTVS 3.385OCCOc1sc(C(=O)NC2[C@@H]3CC4C[C@H]2CC(O)(C4)C3)c(n1)C5CC5
ACDLabs 12.01O=C(c1sc(OCCO)nc1C2CC2)NC5C4CC3CC5CC(O)(C3)C4
Name:4-cyclopropyl-2-(2-hydroxyethyloxy)-N-[(1S,3R)-5-oxidanyl-2-adamantyl]-1,3-thiazole-5-carboxamide
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