MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02299256

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
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3C3U	0.84
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3CV7	0.84
L1O	4-(2-aminoethoxy)-3,5-dichlorobenzoic acid	A	2VIO	0.73
IHB	3-IODO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCI	0.74
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.72
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.72
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.72
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.72
3BZ	3-chlorobenzoate	X	2QVZ	0.77
3BZ	3-chlorobenzoate	X	2QVX	0.77
4HP	4-HYDROXYPHENYLACETATE	A,B,C,D	2JBT	0.72
4HP	4-HYDROXYPHENYLACETATE	A	2YYJ	0.72
4HP	4-HYDROXYPHENYLACETATE	A	2YYM	0.72
4HP	4-HYDROXYPHENYLACETATE	B	1AI6	0.72
4HP	4-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCG	0.72
CHB	3-CHLORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCH	0.87
HBA	P-HYDROXYBENZALDEHYDE	A	1K03	0.77
HBA	P-HYDROXYBENZALDEHYDE	A,B	2VQ5	0.77
HBA	P-HYDROXYBENZALDEHYDE	A,B	1EB9	0.77
HBA	P-HYDROXYBENZALDEHYDE	A	2GQ9	0.77
HBA	P-HYDROXYBENZALDEHYDE	A,B	1Z42	0.77
HBA	P-HYDROXYBENZALDEHYDE	A	1OYB	0.77
NP4	(5Z)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE	A	2IWS	0.7
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5U	0.84
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	3E6B	0.84
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5X	0.84
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	2H6B	0.84
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	C	3E6C	0.84
PHB	P-HYDROXYBENZOIC ACID	A	1CJ4	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1DOB	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1PXB	0.76
PHB	P-HYDROXYBENZOIC ACID	A,B	1G1B	0.76
PHB	P-HYDROXYBENZOIC ACID	A,B	1YKJ	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1IUV	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1PBE	0.76
PHB	P-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCC	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1PDH	0.76
PHB	P-HYDROXYBENZOIC ACID	B	2BUW	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1CC4	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1CC6	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1IUW	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1FW9	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1G81	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1BGJ	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1IUX	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1CJ3	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1D7L	0.76
PHB	P-HYDROXYBENZOIC ACID	A	2PHH	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1BGN	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1PXA	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1DOC	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1K0I	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1BKW	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1JD3	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1PXC	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1TT8	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1CJ2	0.76
PHB	P-HYDROXYBENZOIC ACID	A,B	1Q4S	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1BF3	0.76
PHB	P-HYDROXYBENZOIC ACID	B	2BUR	0.76
G50	3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE	A,B	2UXI	0.71
PCQ	3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL	A,B	1G3M	0.77
PCQ	3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL	A,B	2G5U	0.77
EAA	ETHACRYNIC ACID	A,B	3DGQ	0.71
EAA	ETHACRYNIC ACID	A,B	11GS	0.71
EAA	ETHACRYNIC ACID	A,B,C,D	1GSF	0.71
EAA	ETHACRYNIC ACID	A,B	2GSS	0.71
EAA	ETHACRYNIC ACID	A,B	3GSS	0.71
EAA	ETHACRYNIC ACID	A,B	1GSE	0.71
HBD	4-HYDROXYBENZAMIDE	B,C,D	1BEN	0.71
NE2	3,3',4',5-TETRACHLOROBIPHENYL-4- OL	A,B	2GAB	0.73
P2N	(5Z)-13-CHLORO-14,16-DIHYDROXY- 3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE- 1,11(12H)-DIONE	A	2CGF	0.7
FHB	3-FLUORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCF	0.74
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOD	0.7
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOE	0.7
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1PBB	0.7
174	4-CHLORO-BENZOIC ACID	X	3DLP	0.75
174	4-CHLORO-BENZOIC ACID	X	1T5D	0.75
JUG	5-hydroxynaphthalene-1,4-dione	A,B,C,D,E,F	3B7J	0.7
CHP	3-CHLORO-4-HYDROXYPHENYLGLYCINE	A	1DSR	0.71
3CA		A,B	2B77	0.76
3HP	3-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCE	0.7
M1S	(5E)-14-CHLORO-15,17-DIHYDROXY- 4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE- 1,12(3H,13H)-DIONE	A	2IWX	0.7
34Z	3,4-dichlorobenzoate	X	2QVY	0.75
34Z	3,4-dichlorobenzoate	X	2QW0	0.75
A15	3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN- 1-ONE	A	1TSL	0.71
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	H,I	1A2C	0.71
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C	1CA7	0.71
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C,D	3GGO	0.71
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.78
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.71
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.71
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.71
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.71
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.71
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.71
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B	2TPL	0.71
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B,C,D	3GGP	0.71
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.72
NE1	2',3,3',4',5-PENTACHLOROBIPHENYL- 4-OL	A,B	2G9K	0.73
NP5	(5E)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE	A	2IWU	0.7
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.81
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.81
2CL	(2,6-DICHLOROPHENYL)ACETIC ACID	A	2IPW	0.7
2CL	(2,6-DICHLOROPHENYL)ACETIC ACID	A	2IS7	0.7
34C	(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID	A,B	1HT8	0.72