Drug Details

Name:	Grassystatin A
PubChem ID:	44255320
Pathway:	Show KEGG pathways
InChI:	InChI=1S/C58H95N9O16/c1-30(2)25-38(43(69)29-45(71)64-46(36(12)68)52(74)60-35(11)54(76)66(15)42(27-37-21-18-17-19-22-37)55(77)67-24-20-23-41(67)56(78)81-16)61-51(73)40(28-44(59)70)62-50(72)39(26-31(3)4)63-53(75)48(33(7)8)82-58(80)49(34(9)10)83-57(79)47(32(5)6)65(13)14/h17-19,21-22,30-36,38-43,46-49,68-69H,20,23-29H2,1-16H3,(H2,59,70)(H,60,74)(H,61,73)(H,62,72)(H,63,75)(H,64,71)/t35-,36+,38-,39-,40-,41-,42+,43-,46-,47-,48+,49-/m0/s1
SMILES:	COC(=O)[C@@H]1CCCN1C(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)C[C@@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](C(C)C)OC(=O)[C@H](C(C)C)OC(=O)[C@@H](N(C)C)C(C)C)CC(C)C)CC(=O)N)CC(C)C)O)C)C)Cc1ccccc1
Properties:	Formula: C58H95N9O16 Atoms: 83 Molecular Weight: 1174.43 Rotatable Bonds: 43 H-bond Acceptors: 25 H-bond Donors: 8 logP: 3.0779
Targets:	Name Uniprot ID Source References Interaction 72 kDa type IV collagenase MMP2_HUMAN BindingDB - shows Angiotensin-converting enzyme ACE_HUMAN BindingDB - shows Calpain-1 catalytic subunit CAN1_HUMAN BindingDB - shows Caspase-1 CASP1_HUMAN BindingDB - shows Caspase-3 CASP3_HUMAN BindingDB - shows Caspase-7 CASP7_HUMAN BindingDB - shows Caspase-8 CASP8_HUMAN BindingDB - shows Cathepsin B CATB_HUMAN BindingDB - shows Cathepsin D CATD_HUMAN BindingDB - shows Cathepsin L2 CATL2_HUMAN BindingDB - shows Cathepsin S CATS_HUMAN BindingDB - shows Cationic trypsin TRY1_BOVIN BindingDB - shows Chymase CMA1_HUMAN BindingDB - shows Chymotrypsin-like elastase family member 1 CELA1_PIG BindingDB - shows Coagulation factor X FA10_HUMAN BindingDB - shows Coagulation factor XI FA11_HUMAN BindingDB - shows Collagenase 3 MMP13_HUMAN BindingDB - shows Dipeptidyl peptidase 4 DPP4_HUMAN BindingDB - shows Interstitial collagenase MMP1_HUMAN BindingDB - shows Macrophage metalloelastase MMP12_HUMAN BindingDB - shows Matrilysin MMP7_HUMAN BindingDB - shows Matrix metalloproteinase-14 MMP14_HUMAN BindingDB - shows Neutrophil collagenase MMP8_HUMAN BindingDB - shows Papain PAPA1_CARPA BindingDB - shows Plasminogen PLMN_HUMAN BindingDB - shows Prothrombin THRB_HUMAN BindingDB - shows Renin RENI_HUMAN BindingDB - shows Renin RENI_PANTR BindingDB - shows Stromelysin-2 MMP10_HUMAN BindingDB - shows Urokinase-type plasminogen activator UROK_HUMAN BindingDB - shows Vitamin K-dependent protein C PROC_HUMAN BindingDB - shows enlarge table
Synonyms:	CHEBI:678848 CHEMBL567893 Grassystatin A enlarge table

This work is licensed under a Creative Commons Attribution-Noncommercial-Share Alike 3.0 Unported License.