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

You can:

Ligand

NameCHEMBL287469
Molecular formulaC24H39N13O4
IUPAC name3-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1H-1,2,4-triazole-5-carboxamide
Molecular weight573.663
Hydrogen bond acceptor9
Hydrogen bond donor9
XlogP-0.6
SynonymsBDBM50077739
5-Amino-1H-[1,2,4]triazole-3-carboxylic acid ((S)-1-{(S)-1-[(S)-1-carbamoyl-2-(1H-imidazol-4-yl)-ethylcarbamoyl]-4-guanidino-butylcarbamoyl}-2-cyclohexyl-ethyl)-amide
Inchi KeyAJPUJSNLKAYBTL-ULQDDVLXSA-N
Inchi IDInChI=1S/C24H39N13O4/c25-18(38)16(10-14-11-29-12-31-14)33-20(39)15(7-4-8-30-23(26)27)32-21(40)17(9-13-5-2-1-3-6-13)34-22(41)19-35-24(28)37-36-19/h11-13,15-17H,1-10H2,(H2,25,38)(H,29,31)(H,32,40)(H,33,39)(H,34,41)(H4,26,27,30)(H3,28,35,36,37)/t15-,16-,17-/m0/s1
PubChem CID44280835
ChEMBLCHEMBL287469
IUPHARN/A
BindingDB50077739
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7116Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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