Ligand
Ligand Name:   Antipain
Ligand Type:   peptide-like
Ligand ID:   COVPDB1174 PubChem:   37817
Synonym(s):  
  •   unii-47v479be6l
  • 37691-11-5
  • 47v479be6l
  • l-valinamide, n(sup 2)-(((1-carboxy-2-phenylethyl)amino)carbonyl)-l-arginyl-n-(4-((aminoiminomethyl)amino)-1-formylbutyl)-
  • l-valinamide, n2-(((1-carboxy-2-phenylethyl)amino)carbonyl)-l-arginyl-n-(4-((aminoiminomethyl)amino)-1-formylbutyl)-
  • l-valinamide, n2-[[(1-carboxy-2-phenylethyl)amino]carbonyl]-l-arginyl-n-[4-[(aminoiminomethyl)amino]-1-formylbutyl]-
  • ccris 3605
  • einecs 253-631-0
  • anti-pain
  • phe-co-arg-val-l-arg-h
  • schembl642095
  • chembl1230912
  • dtxsid40958733
  • zinc8716755
  • akos015894041
  • db15251
  • (2s)-2-[[(2s)-5-(diaminomethylideneamino)-1-[[(2s)-1-[[(2s)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid
  • n2-(((1-carboxyphenethyl)amino)carbonyl)-l-arginyl-n-(4-((aminoiminomethyl)amino)-1-formylbutyl)-l-valinamide
  • q4775077
  • n-[14-amino-3-(3-carbamimidamidopropyl)-9-formyl-1,4,7-trihydroxy-14-imino-6-(propan-2-yl)-2,5,8,13-tetraazatetradeca-1,4,7-trien-1-yl]phenylalanine
show 19 synonym(s)
DrugBank:   DB15251 ChEMBL:   CHEMBL1230912
Canonical SMILES:   CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C=O
Standard InChI:   InChI=1S/C27H44N10O6/c1-16(2)21(23(40)34-18(15-38)10-6-12-32-25(28)29)37-22(39)19(11-7-13-33-26(30)31)35-27(43)36-20(24(41)42)14-17-8-4-3-5-9-17/h3-5,8-9,15-16,18-21H,6-7,10-14H2,1-2H3,(H,34,40)(H,37,39)(H,41,42)(H4,28,29,32)(H4,30,31,33)(H2,35,36,43)/t18-,19-,20-,21-/m0/s1
Molecular Formula:   C27H44N10O6 Mol. Weight:   604.34454 logP:   -1.29886
HBD:   11 HBA:   7
#Rotatable Bonds:   19 TPSA:   277.5

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Serine carboxypeptidase 2 P08819 (CBP2_WHEAT) Triticum aestivum (Wheat) 1BCR OAR
-
-
SHOW