BDBM36170 taurocholate (TCA)
SMILES: CC(CCC(=O)NCCS([O-])(=O)=O)[C@H]1CCC2C3[C@@H](O)CC4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C
InChI Key: InChIKey=WBWWGRHZICKQGZ-DWASRRROSA-M
Data: 7 ITC
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 |
---|---|---|---|---|---|---|---|---|---|---|
BDBM11 | BDBM36170 | CHEBI KEGG MMDB PC cid PC sid PDB | KEGG PC cid PC sid | n/a | 1.10 | -5.68 | 3.36 | 7.20 | 25 | |
Nankai University | J Org Chem 70: 8703-11 (2005) | |||||||||
BDBM36166 | BDBM36170 | PC cid PC sid | KEGG PC cid PC sid | n/a | 1.39 | -5.52 | 3.03 | 7.20 | 25 | |
Nankai University | J Org Chem 70: 8703-11 (2005) | |||||||||
BDBM36167 | BDBM36170 | PC cid PC sid | KEGG PC cid PC sid | n/a | 1.48 | -5.80 | 3.17 | 7.20 | 25 | |
Nankai University | J Org Chem 70: 8703-11 (2005) | |||||||||
BDBM11 | BDBM36170 | CHEBI KEGG MMDB PC cid PC sid PDB | KEGG PC cid PC sid | -4.58 | 1.10 | -5.68 | 3.36 | 7.20 | 25 | |
Nankai University | J Phys Chem B 107: 14130 (2003) | |||||||||
BDBM36127 | BDBM36170 | CHEBI PC cid PC sid | KEGG PC cid PC sid | -4.59 | 1.84 | -6.42 | 3.36 | 7.20 | 25 | |
Nankai University | J Phys Chem B 107: 14130 (2003) | |||||||||
BDBM36171 | BDBM36170 | PC cid PC sid | KEGG PC cid PC sid | -4.26 | 3.57 | -7.82 | 3.12 | 7.20 | 25 | |
Nankai University | J Phys Chem B 107: 14130 (2003) | |||||||||
BDBM36172 | BDBM36170 | PC cid PC sid | KEGG PC cid PC sid | -4.70 | 0.164 | -4.87 | 3.45 | 7.20 | 25 | |
Nankai University | J Phys Chem B 107: 14130 (2003) |