BDBM779 [amino(4-hexylphenyl)methylidene]azanium::benzamidine deriv.::p-n-hexylbenzamidinium chloride
SMILES: CCCCCCc1ccc(cc1)C(N)=[NH2+]
InChI Key: InChIKey=SODISIXVCMYYGE-UHFFFAOYSA-O
Data: 3 ITC
PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
Cell (A) | Syringe (B) | Cell Links | Syringe Links | Cell + Syr Links | ΔG° kcal/mole | -TΔS° kcal/mole | ΔH° kcal/mole | log K | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|
Trypsin (Bos taurus (bovine)) | BDBM779 ([amino(4-hexylphenyl)methylidene]azanium | benzami...) | DrugBank GoogleScholar KEGG PDB | PC cid PC sid | -7.09 | -2.08 | -5.02 | 5 | 8 | 37 | |
University of Groningen | J Am Chem Soc 125: 10570-9 (2003) | |||||||||
Trypsin (Bos taurus (bovine)) | BDBM779 ([amino(4-hexylphenyl)methylidene]azanium | benzami...) | DrugBank GoogleScholar KEGG PDB | PC cid PC sid | -6.90 | -5.31 | -1.58 | 5.15 | 8 | 20 | |
University of Groningen | J Am Chem Soc 125: 10570-9 (2003) | |||||||||
Trypsin (Bos taurus (bovine)) | BDBM779 ([amino(4-hexylphenyl)methylidene]azanium | benzami...) | DrugBank GoogleScholar KEGG PDB | PC cid PC sid | -6.97 | -4.44 | -2.53 | 5.11 | 8 | 25 | |
University of Groningen | J Am Chem Soc 125: 10570-9 (2003) |