Ligand
Ligand Name:   inhibitor ZED1630
Ligand Type:   peptide-like
Ligand ID:   COVPDB92 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   Cc1scc(n1)C(=O)N[C@@H](CC/C=C/C(=O)OC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N2[C@@H](CCC2)C(=O)N[C@H](C(=O)N)Cc3c[nH]c(c34)cccc4
Standard InChI:   InChI=1S/C43H59N9O9S/c1-23(2)19-32(43(60)52-18-12-16-34(52)41(58)49-31(37(44)54)20-27-21-45-29-14-9-8-13-28(27)29)50-42(59)36(24(3)4)51-38(55)25(5)46-39(56)30(15-10-11-17-35(53)61-7)48-40(57)33-22-62-26(6)47-33/h8-9,11,13-14,17,21-25,30-32,34,36,45H,10,12,15-16,18-20H2,1-7H3,(H2,44,54)(H,46,56)(H,48,57)(H,49,58)(H,50,59)(H,51,55)/b17-11+/t25-,30-,31-,32-,34-,36-/m0/s1
Molecular Formula:   C43H59N9O9S Mol. Weight:   877.41565 logP:   1.92082
HBD:   7 HBA:   11
#Rotatable Bonds:   21 TPSA:   263.88

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Coagulation factor XIII A chain P00488 (F13A_HUMAN) Homo sapiens (Human) 5MHM 1TX
-
-
SHOW