MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02177337

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.

Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
789	3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE	A,B	1ZAF	0.71
4HP	4-HYDROXYPHENYLACETATE	A,B,C,D	2JBT	0.7
4HP	4-HYDROXYPHENYLACETATE	A	2YYJ	0.7
4HP	4-HYDROXYPHENYLACETATE	A	2YYM	0.7
4HP	4-HYDROXYPHENYLACETATE	B	1AI6	0.7
4HP	4-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCG	0.7
IHB	3-IODO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCI	0.73
FLV	FLAVIOLIN	A	1ZDW	0.71
FLV	FLAVIOLIN	A	1T93	0.71
FLV	FLAVIOLIN	A	2D09	0.71
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.7
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.7
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A,B	3B56	0.72
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A	2BXL	0.72
G12	3,8-DIBROMO-7-HYDROXY-4-METHYL- 2H-CHROMEN-2-ONE	A	2QC6	0.7
FHB	3-FLUORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCF	0.73
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOD	0.77
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOE	0.77
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1PBB	0.77
34D	3,5-DIHYDROXYBENZOATE	A,B	2BX7	0.85
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3CMP	0.76
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MD9	0.76
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MDB	0.76
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	1L6M	0.76
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3BY0	0.76
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	M,N,O,P,Q,R	3PCN	0.7
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	B	1AI4	0.7
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	A,B,C,D	1Q0C	0.7
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	A,B	1F1V	0.7
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.79
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.79
FL8	6,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONE	B,C	1KGJ	0.7
FL9		A,B	1THC	0.71
DHB	3,4-DIHYDROXYBENZOIC ACID	B	2BV0	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	A,B,D,F,H,J,L	1YKP	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	A	1N8Q	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	A,B	2BSL	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D,F,H,J,L	1YKL	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D	1B4U	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	A	3DX5	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCA	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D,F,H,J,L	1YKN	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	B	1EOB	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	A	1PHH	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	B	2BUV	0.76
3HP	3-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCE	0.73
G50	3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE	A,B	2UXI	0.7
GRE	2,6-DIHYDROXYBENZOIC ACID	A,B,C,D	2DVU	0.79
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.7