Details for Substrate BDBM32616 without Explicit Binding Affinity Data
Binding Enzyme 1
E3 ubiquitin-protein ligase XIAP
Name:
BDBM32616
Synonyms:
SMAC-1F
Type:
n/a
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
C[C@H](N)C(=O)N[C@@H](CCCCNC(=O)CCCCC(=O)NCCCC[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)c1cccc(c1C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:99.105,95.102,6.5,25.25,38.39,42.42,wD:1.1,29.30,53.54,(4.35,5.14,;4.35,3.6,;5.69,2.83,;3.02,2.83,;3.02,1.29,;1.69,3.6,;.35,2.83,;.35,1.29,;1.69,.52,;1.69,-1.02,;3.02,-1.79,;3.02,-3.33,;4.35,-4.1,;5.69,-3.33,;4.35,-5.64,;5.69,-6.41,;5.69,-7.95,;7.02,-8.72,;7.02,-10.26,;5.69,-11.03,;8.35,-11.03,;8.35,-12.57,;9.69,-13.34,;9.69,-14.88,;11.02,-15.65,;11.02,-17.19,;9.69,-17.96,;8.35,-17.19,;8.35,-15.65,;7.02,-17.96,;7.02,-19.5,;5.69,-17.19,;12.35,-17.96,;12.35,-19.5,;13.69,-17.19,;13.52,-15.66,;14.93,-15.03,;15.96,-16.17,;15.2,-17.5,;15.83,-18.91,;14.93,-20.16,;17.36,-19.06,;18.26,-17.81,;17.63,-16.41,;18.53,-15.16,;18,-13.72,;18.98,-12.53,;20.5,-12.79,;21.03,-14.24,;20.05,-15.42,;19.79,-17.97,;20.42,-19.38,;20.69,-16.72,;22.23,-16.72,;23,-18.06,;24.54,-18.06,;25.31,-19.39,;26.85,-19.39,;27.62,-20.72,;29.16,-20.72,;29.93,-19.39,;29.93,-22.06,;31.27,-21.29,;32.6,-22.06,;32.6,-23.6,;31.27,-24.37,;29.93,-23.6,;28.6,-24.37,;28.4,-25.89,;27.51,-23.28,;32.04,-25.7,;33.56,-25.5,;34.15,-24.07,;35.68,-23.87,;36.62,-25.09,;38.14,-24.88,;36.03,-26.51,;34.5,-26.72,;33.92,-28.14,;32.39,-28.34,;31.8,-29.77,;30.28,-29.97,;29.69,-31.4,;29.34,-28.75,;29.92,-27.33,;31.45,-27.12,;23,-15.39,;24.54,-15.39,;22.23,-14.05,;-.98,3.6,;-.98,5.14,;-2.32,2.83,;-2.49,1.3,;-4,1,;-4.76,2.34,;-3.72,3.47,;-4.12,4.96,;-2.78,5.73,;-5.45,5.73,;-6.78,4.96,;-6.78,3.42,;-8.12,2.65,;-9.56,3.18,;-10.74,2.19,;-10.48,.67,;-9.03,.14,;-7.85,1.13,;-8.12,5.73,;-9.45,4.96,;-8.12,7.27,)|
Structure:
