Ligand
Ligand Name:   CBZ-ASP-GLU-VAL-azaASP-EP-CO-NH-CH2PH
Ligand Type:   peptide-like
Ligand ID:   COVPDB1119 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)NN(CC(O)=O)C(=O)[C@H]1O[C@@H]1C(=O)NCc1ccccc1
Standard InChI:   InChI=1S/C35H42N6O14/c1-19(2)27(32(50)40-41(17-26(46)47)34(52)29-28(55-29)33(51)36-16-20-9-5-3-6-10-20)39-30(48)22(13-14-24(42)43)37-31(49)23(15-25(44)45)38-35(53)54-18-21-11-7-4-8-12-21/h3-12,19,22-23,27-29H,13-18H2,1-2H3,(H,36,51)(H,37,49)(H,38,53)(H,39,48)(H,40,50)(H,42,43)(H,44,45)(H,46,47)/t22-,23-,27-,28-,29-/m0/s1
Molecular Formula:   C35H42N6O14 Mol. Weight:   770.2759 logP:   -0.7253
HBD:   8 HBA:   11
#Rotatable Bonds:   20 TPSA:   299.47

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Caspase-3 P42574 (CASP3_HUMAN) Homo sapiens (Human) 2CNL MY3
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