BDBM36126 gamma-cyclodextrin

SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@@H]9[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O

InChI Key: InChIKey=GDSRMADSINPKSL-HSEONFRVSA-N

Data: 53 ITC

PDB links: 3 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- ITC Data from BindingDB

Found 53 hits for monomerid = 36126

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
BDBM36126	BDBM36121	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-2.71	3.42	-6.11	1.99	6.90	25
Nagoya Institute of Technology					J Am Chem Soc 126: 14224-33 (2004)
BDBM36126	BDBM36122	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-2.18	3.15	-5.33	1.60	6.90	25
Nagoya Institute of Technology					J Am Chem Soc 126: 14224-33 (2004)
BDBM36126	BDBM36225	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-1.89	4.64	-6.52	1.38	6.90	25
Japan Science and Technology Agency					J Org Chem 68: 5228-35 (2003)
BDBM36126	BDBM36226	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-2.38	2.03	-4.42	1.75	6.90	25
Japan Science and Technology Agency					J Org Chem 68: 5228-35 (2003)
BDBM36126	BDBM36227	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-2.47	2.01	-4.47	1.81	6.90	25
Japan Science and Technology Agency					J Org Chem 68: 5228-35 (2003)
BDBM36126	BDBM36228	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-1.53	6.93	-8.36	1.11	6.90	25
Japan Science and Technology Agency					J Org Chem 68: 5228-35 (2003)
BDBM36126	BDBM50043809	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-2.34	5.01	-7.40	1.72	6.90	25
Japan Science and Technology Agency					J Org Chem 68: 5228-35 (2003)
BDBM36126	BDBM50043807	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-2.39	5.01	-7.40	1.76	6.90	25
Japan Science and Technology Agency					J Org Chem 68: 5228-35 (2003)
BDBM36126	BDBM36212	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-1.89	0.983	-2.87	1.38	6.90	25
Japan Science and Technology Agency					J Org Chem 68: 5228-35 (2003)
BDBM36126	BDBM36213	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-1.98	1.03	-3.01	1.46	6.90	25
Japan Science and Technology Agency					J Org Chem 68: 5228-35 (2003)
BDBM36126	BDBM36214	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-2.65	1.17	-3.82	1.94	6.90	25
Japan Science and Technology Agency					J Org Chem 68: 5228-35 (2003)
BDBM36126	BDBM36215	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-2.61	1.31	-3.92	1.92	6.90	25
Japan Science and Technology Agency					J Org Chem 68: 5228-35 (2003)
BDBM36126	BDBM36216	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-2.12	0.862	-2.99	1.56	6.90	25
Japan Science and Technology Agency					J Org Chem 68: 5228-35 (2003)
BDBM36126	BDBM36146	CHEBI MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-1.58	2.60	-4.18	1.58	7.20	25
Himeji Institute of Technology					J Am Chem Soc 115: 475-481 (1993)
BDBM36126	BDBM36147	CHEBI MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-3.52	-2.66	-0.860	2.58	7.20	25
Himeji Institute of Technology					J Am Chem Soc 115: 475-481 (1993)
BDBM36126	BDBM36151	CHEBI MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-1.79	4.91	-6.71	1.31	7.20	25
Himeji Institute of Technology					J Am Chem Soc 115: 475-481 (1993)
BDBM36126	BDBM36254	CHEBI MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-5.86	0.833	-6.69	4.30	n/a	24.9
University of Surrey					J Am Chem Soc 112: 8442-7 (1990)
BDBM36126	BDBM36254	CHEBI MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-4.95	-1.41	-3.53	3.63	n/a	24.9
University of Surrey					J Am Chem Soc 112: 8442-7 (1990)
BDBM36126	BDBM36255	CHEBI MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-5.67	2.65	-8.31	4.16	n/a	24.9
University of Surrey					J Am Chem Soc 112: 8442-7 (1990)
BDBM36126	BDBM36255	CHEBI MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-5.29	-0.811	-4.47	3.88	n/a	24.9
University of Surrey					J Am Chem Soc 112: 8442-7 (1990)
BDBM36126	BDBM36256	CHEBI MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-4.47	-2.03	-2.44	3.28	n/a	24.9
University of Surrey					J Am Chem Soc 112: 8442-7 (1990)
BDBM36126	BDBM36257	CHEBI MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-5.37	0.648	-6.02	3.94	n/a	24.9
University of Surrey					J Am Chem Soc 112: 8442-7 (1990)
BDBM36126	BDBM36257	CHEBI MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-5.51	-0.242	-5.28	4.04	n/a	24.9
University of Surrey					J Am Chem Soc 112: 8442-7 (1990)
BDBM36126	BDBM36258	CHEBI MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-5.63	-0.740	-4.87	4.13	n/a	24.9
University of Surrey					J Am Chem Soc 112: 8442-7 (1990)
BDBM36126	BDBM36258	CHEBI MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-5.66	-1.94	-3.73	4.15	n/a	24.9
University of Surrey					J Am Chem Soc 112: 8442-7 (1990)
BDBM36126	BDBM36217	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-2.18	1.05	-3.22	1.60	6.90	25
Japan Science and Technology Agency					J Org Chem 68: 5228-35 (2003)
BDBM36126	BDBM36218	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-2.48	1.98	-4.47	1.82	6.90	25
Japan Science and Technology Agency					J Org Chem 68: 5228-35 (2003)
BDBM36126	BDBM36219	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-2.48	1.74	-4.23	1.82	6.90	25
Japan Science and Technology Agency					J Org Chem 68: 5228-35 (2003)
BDBM36126	BDBM36220	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-2.01	2.17	-4.18	1.48	6.90	25
Japan Science and Technology Agency					J Org Chem 68: 5228-35 (2003)
BDBM36126	BDBM36221	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-2.14	2.34	-4.47	1.57	6.90	25
Japan Science and Technology Agency					J Org Chem 68: 5228-35 (2003)
BDBM36126	BDBM36222	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-2.48	2.70	-5.18	1.82	6.90	25
Japan Science and Technology Agency					J Org Chem 68: 5228-35 (2003)
BDBM36126	BDBM36223	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-2.52	2.44	-4.94	1.85	6.90	25
Japan Science and Technology Agency					J Org Chem 68: 5228-35 (2003)
BDBM36126	BDBM50043797	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-3.06	1.53	-4.59	2.24	6.90	25
Japan Science and Technology Agency					J Org Chem 68: 5228-35 (2003)
BDBM36126	BDBM50043803	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-3.11	1.77	-4.87	2.28	6.90	25
Japan Science and Technology Agency					J Org Chem 68: 5228-35 (2003)
BDBM36126	BDBM50043798	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-3.06	-0.214	-2.84	2.24	6.90	25
Japan Science and Technology Agency					J Org Chem 68: 5228-35 (2003)
BDBM36126	BDBM50043796	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-3.09	0.0214	-3.06	2.27	6.90	25
Japan Science and Technology Agency					J Org Chem 68: 5228-35 (2003)
BDBM36126	BDBM36224	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-2.16	2.82	-4.97	1.59	6.90	25
Japan Science and Technology Agency					J Org Chem 68: 5228-35 (2003)
BDBM36126	BDBM36229	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-2.30	5.01	-7.31	1.69	6.90	25
Japan Science and Technology Agency					J Org Chem 68: 5228-35 (2003)
BDBM36126	BDBM36230	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-2.35	4.75	-7.09	1.72	6.90	25
Japan Science and Technology Agency					J Org Chem 68: 5228-35 (2003)
BDBM36126	BDBM36231	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-1.65	9.83	-11.5	1.20	6.90	25
Japan Science and Technology Agency					J Org Chem 68: 5228-35 (2003)
BDBM36126	BDBM36232	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-2.54	2.08	-4.61	1.86	6.90	25
Japan Science and Technology Agency					J Org Chem 68: 5228-35 (2003)
BDBM36126	BDBM36233	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-1.48	6.45	-7.88	1.08	6.90	25
Japan Science and Technology Agency					J Org Chem 68: 5228-35 (2003)
BDBM36126	BDBM36234	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-3.09	3.39	-6.47	2.26	6.90	25
Japan Science and Technology Agency					J Org Chem 68: 5228-35 (2003)
BDBM36126	BDBM36235	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-2.43	2.36	-4.80	1.78	6.90	25
Japan Science and Technology Agency					J Org Chem 68: 5228-35 (2003)
BDBM36126	BDBM36236	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-2.55	4.13	-6.69	1.87	6.90	25
Japan Science and Technology Agency					J Org Chem 68: 5228-35 (2003)
BDBM36126	BDBM36237	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-1.43	14.8	-16.2	1	6.90	25
Japan Science and Technology Agency					J Org Chem 68: 5228-35 (2003)
BDBM36126	BDBM36238	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-2.32	2.41	-4.73	1.71	6.90	25
Japan Science and Technology Agency					J Org Chem 68: 5228-35 (2003)
BDBM36126	BDBM36239	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-2.41	1.79	-4.20	1.77	6.90	25
Japan Science and Technology Agency					J Org Chem 68: 5228-35 (2003)
BDBM36126	BDBM36240	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-1.98	3.39	-5.37	1.46	6.90	25
Japan Science and Technology Agency					J Org Chem 68: 5228-35 (2003)
BDBM36126	BDBM36241	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-2.58	1.08	-3.65	1.89	6.90	25
Japan Science and Technology Agency					J Org Chem 68: 5228-35 (2003)
BDBM36126	BDBM36242	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-2.92	0.142	-3.05	2.14	6.90	25
Japan Science and Technology Agency					J Org Chem 68: 5228-35 (2003)
BDBM36126	BDBM36243	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid PDB		-1.93	3.28	-5.21	1.42	6.90	25
Japan Science and Technology Agency					J Org Chem 68: 5228-35 (2003)
BDBM36126	BDBM36244	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		n/a	7.62	-11.5	2.81	7	25
Doshisha University					J Org Chem 70: 3667-73 (2005)