MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02223821

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
FL8	6,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONE	B,C	1KGJ	0.76
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B	2TPL	0.72
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B,C,D	3GGP	0.72
FRR	(3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY- 14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO- 1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)- DIONE	A	2E14	0.72
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.75
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.75
789	3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE	A,B	1ZAF	0.71
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A,B	3B56	0.7
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A	2BXL	0.7
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.72
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.72
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.71
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
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	H,I	1A2C	0.7
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C	1CA7	0.7
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C,D	3GGO	0.7
VNL	4-HYDROXY-3-METHOXYBENZOATE	A,B,C,D	2AHC	0.75
VNL	4-HYDROXY-3-METHOXYBENZOATE	A	1XLR	0.75
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOD	0.73
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOE	0.73
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1PBB	0.73
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.86
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.86
FHB	3-FLUORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCF	0.77
34D	3,5-DIHYDROXYBENZOATE	A,B	2BX7	0.72
OAC	TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE	C	3GCH	0.73
CHB	3-CHLORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCH	0.71
IHB	3-IODO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCI	0.77
G12	3,8-DIBROMO-7-HYDROXY-4-METHYL- 2H-CHROMEN-2-ONE	A	2QC6	0.74
LJ2	2,6-dibromo-4-[(E)-2-phenylethenyl]phenol	A,B	3CN1	0.72
BVL	(2E)-1-[2-hydroxy-4-methoxy-5-(3- methylbut-2-en-1-yl)phenyl]-3-(4- hydroxyphenyl)prop-2-en-1-one	A	2ZBH	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1CJ4	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1DOB	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1PXB	0.79
PHB	P-HYDROXYBENZOIC ACID	A,B	1G1B	0.79
PHB	P-HYDROXYBENZOIC ACID	A,B	1YKJ	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1IUV	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1PBE	0.79
PHB	P-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCC	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1PDH	0.79
PHB	P-HYDROXYBENZOIC ACID	B	2BUW	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1CC4	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1CC6	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1IUW	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1FW9	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1G81	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1BGJ	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1IUX	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1CJ3	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1D7L	0.79
PHB	P-HYDROXYBENZOIC ACID	A	2PHH	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1BGN	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1PXA	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1DOC	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1K0I	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1BKW	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1JD3	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1PXC	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1TT8	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1CJ2	0.79
PHB	P-HYDROXYBENZOIC ACID	A,B	1Q4S	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1BF3	0.79
PHB	P-HYDROXYBENZOIC ACID	B	2BUR	0.79
DHB	3,4-DIHYDROXYBENZOIC ACID	B	2BV0	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	A,B,D,F,H,J,L	1YKP	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	A	1N8Q	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	A,B	2BSL	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D,F,H,J,L	1YKL	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D	1B4U	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	A	3DX5	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCA	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D,F,H,J,L	1YKN	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	B	1EOB	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	A	1PHH	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	B	2BUV	0.73
HBA	P-HYDROXYBENZALDEHYDE	A	1K03	0.74
HBA	P-HYDROXYBENZALDEHYDE	A,B	2VQ5	0.74
HBA	P-HYDROXYBENZALDEHYDE	A,B	1EB9	0.74
HBA	P-HYDROXYBENZALDEHYDE	A	2GQ9	0.74
HBA	P-HYDROXYBENZALDEHYDE	A,B	1Z42	0.74
HBA	P-HYDROXYBENZALDEHYDE	A	1OYB	0.74
GRE	2,6-DIHYDROXYBENZOIC ACID	A,B,C,D	2DVU	0.7
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.83
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.83
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.83
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.83
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.83
DDC	7-HYDROXY-2-PHENYL-CHROMAN-4-ONE	A,B	1FM8	0.7
HHH	(2S)-hydroxy(4-hydroxyphenyl)ethanoic acid	A,B	2R5V	0.72
OEF	3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACID	A	2J4A	0.75
FL9		A,B	1THC	0.76
U01	3-[1-(4-BROMO-PHENYL)-2-METHYL- PROPYL]-4-HYDROXY-CHROMEN-2-ONE	A	1UPJ	0.71
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.75
VXX	VANILLATE	A,B	1WB6	0.76
V55	4-hydroxy-3-methoxybenzaldehyde	B,D,E,F	2VSS	0.72
V55	4-hydroxy-3-methoxybenzaldehyde	A,B,D,E,F	2VSU	0.72
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
QSO	5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one	A,B	2QYO	0.7
GA9	3,3-BIS(3-BROMO-4-HYDROXYPHENYL)- 7-CHLORO-1H,3H-BENZO[DE]ISOCHROMEN- 1-ONE	A,B,C,D	2A9W	0.73
DBY	3,5 DIBROMOTYROSINE	C,D	1EBA	0.74
OMD	2-(3,6-DIHYDROXYPHENYL)ACETIC ACID	A,B	1AJP	0.71
SYR	SYRINGATE	A,B	1WB5	0.74
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.72
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.72
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.72
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.72
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.72
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.72
HMO	4'-HYDROXY-7-METHOXYISOFLAVONE	A	1FP2	0.7
3HP	3-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCE	0.74
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.73
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	M,N,O,P,Q,R	3PCN	0.71
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	B	1AI4	0.71
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	A,B,C,D	1Q0C	0.71
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	A,B	1F1V	0.71
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.71
LJ3	3,5-dibromobiphenyl-4-ol	A,B	3CN2	0.7