BDBM36281 BDBM197279::cucurbit[7]uril

SMILES: O=C1N2CN3[C@@H]4[C@@H]5N(CN6[C@@H]7[C@@H]8N(CN9[C@@H]%10[C@@H]%11N(CN%12[C@@H]%13[C@@H]%14N(CN%15[C@@H]%16[C@@H]%17N(CN%18[C@@H]%19[C@@H]%20N(CN1[C@@H]1[C@H]2N2CN4C(=O)N5CN7C(=O)N8CN%10C(=O)N%11CN%13C(=O)N%14CN%16C(=O)N%17CN%19C(=O)N%20CN1C2=O)C%18=O)C%15=O)C%12=O)C9=O)C6=O)C3=O

InChI Key: InChIKey=ZDOBFUIMGBWEAB-UHFFFAOYSA-N

Data: 20 ITC

PDB links: 11 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 20 hits for monomerid = 36281

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
BDBM36281	BDBM36311	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-5.21	-3.30	-1.90	3.82	7	27
University of Cambridge					Chemistry 16: 13716-22 (2010)
BDBM36281	BDBM36282	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		n/a	8.12	-21.0	9.48	n/a	25
University of Miami					J Am Chem Soc 127: 12984-9 (2005)
BDBM36281	BDBM36283	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		n/a	4.30	-21.0	12.3	n/a	25
University of Miami					J Am Chem Soc 127: 12984-9 (2005)
BDBM36281	BDBM36259	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		n/a	4.06	-21.3	12.6	n/a	25
University of Miami					J Am Chem Soc 127: 12984-9 (2005)
BDBM36281	BDBM197288	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-9.79	n/a	n/a	7.23	7.40	24.9
University of California San Diego					J Comput Aided Mol Des 28: 305-17 (2014)
BDBM36281	BDBM197289	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-9.55	n/a	n/a	7.04	7.40	24.9
University of California San Diego					J Comput Aided Mol Des 28: 305-17 (2014)
BDBM36281	BDBM197290	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-6.69	n/a	n/a	4.85	7.40	24.9
University of California San Diego					J Comput Aided Mol Des 28: 305-17 (2014)
BDBM36281	BDBM197291	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-8.36	n/a	n/a	6.18	7.40	24.9
University of California San Diego					J Comput Aided Mol Des 28: 305-17 (2014)
BDBM36281	BDBM197292	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-8.60	n/a	n/a	6.26	7.40	24.9
University of California San Diego					J Comput Aided Mol Des 28: 305-17 (2014)
BDBM36281	BDBM197293	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-7.88	n/a	n/a	5.81	7.40	24.9
University of California San Diego					J Comput Aided Mol Des 28: 305-17 (2014)
BDBM36281	BDBM197294	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid PDB		-10.1	n/a	n/a	7.38	7.40	24.9
University of California San Diego					J Comput Aided Mol Des 28: 305-17 (2014)
BDBM36281	BDBM197295	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-11.8	n/a	n/a	8.66	7.40	24.9
University of California San Diego					J Comput Aided Mol Des 28: 305-17 (2014)
BDBM36281	BDBM197296	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-12.6	n/a	n/a	8.26	7.40	24.9
University of California San Diego					J Comput Aided Mol Des 28: 305-17 (2014)
BDBM36281	BDBM197297	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-7.88	n/a	n/a	5.76	7.40	24.9
University of California San Diego					J Comput Aided Mol Des 28: 305-17 (2014)
BDBM36281	BDBM197298	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-11.1	n/a	n/a	8.11	7.40	24.9
University of California San Diego					J Comput Aided Mol Des 28: 305-17 (2014)
BDBM36281	BDBM197299	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-13.3	n/a	n/a	n/a	7.40	24.9
University of California San Diego					J Comput Aided Mol Des 28: 305-17 (2014)
BDBM36281	BDBM197300	CHEBI MMDB PC cid PC sid PDB	KEGG PC cid PC sid		-14.1	n/a	n/a	n/a	7.40	24.9
University of California San Diego					J Comput Aided Mol Des 28: 305-17 (2014)
BDBM36281	BDBM197301	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-11.6	n/a	n/a	8.49	7.40	24.9
University of California San Diego					J Comput Aided Mol Des 28: 305-17 (2014)
BDBM36281	BDBM197285	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-6.11	2.36	-8.60	4.46	7	26.9
University of California San Diego					J Comput Aided Mol Des 26: 475-87 (2012)
BDBM36281	BDBM197286	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-7.43	-3.58	-3.82	5.41	7	26.9
University of California San Diego					J Comput Aided Mol Des 26: 475-87 (2012)