MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03524199

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
697	5-HYDROXY-2-(4-HYDROXYPHENYL)-1- BENZOFURAN-7-CARBONITRILE	A,B	1X76	0.81
DDC	7-HYDROXY-2-PHENYL-CHROMAN-4-ONE	A,B	1FM8	0.71
A18	5-(2-CHLOROBENZYL)-2-FUROIC ACID	A	2Q96	0.71
FC3	5-[2-(TRIFLUOROMETHYL)PHENYL]-2- FUROIC ACID	A	2EVC	0.74
TRT	FRAGMENT OF TRITON X-100	A,E	2I0U	0.72
TRT	FRAGMENT OF TRITON X-100	A,B	1OIZ	0.72
ZHZ	2-(4-METHOXYPHENYL)ACETAMIDE	D,H	2HKR	0.7
BGF	2,5-BIS(4-GUANYLPHENYL)FURAN	A	227D	0.74
DBF	DIBENZOFURAN-4,6-DICARBOXYLIC ACID	B	1DVU	0.82
8MO	METHOXSALEN	A,B,C,D	1Z11	0.76
BHF	2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE	A	2HI4	0.78
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.74
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.74
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.74
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.74
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.74
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	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
B21	5-(2-METHOXYPHENYL)-2-FUROIC ACID	A	2Q93	0.75
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A	2Z9C	0.7
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A,B	1OOQ	0.7
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A,B,C,D,E,F, G,H	2F1O	0.7
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PIT	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ1	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PIU	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PKL	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A,B	3D57	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ2	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2QPY	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ0	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NUO	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A,B	2PIN	0.71
RWF	R-WARFARIN	A,B	2BXD	0.7
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.7
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.7
LRG	(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid	A	3B3K	0.71
LRG	(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid	A	3D6D	0.71
FCD	5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID	A	1XNZ	0.7
R19	ALLYL-{6-[3-(4-BROMO-PHENYL)-BENZOFURAN- 6-YLOXY]-HEXYL-}-METHYL-AMIN	A,B,C	1O6R	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
MPP	3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID	A,B	2AY3	0.7
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.76
244	[5-HYDROXY-2-(4-HYDROXYPHENYL)- 1-BENZOFURAN-7-YL]ACETONITRILE	A,B	1X78	0.81
244	[5-HYDROXY-2-(4-HYDROXYPHENYL)- 1-BENZOFURAN-7-YL]ACETONITRILE	A,B	1X7E	0.81
COU	COUMARIN	A	3CRB	0.71
COU	COUMARIN	A	2PMJ	0.71
COU	COUMARIN	A	2H90	0.71
COU	COUMARIN	A,B,C,D	1Z10	0.71
COU	COUMARIN	A	2PWB	0.71
SWF	S-WARFARIN	A,B	1OG5	0.7
AGI	5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one	A,B,C,D,E,F	3CF9	0.7
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.75
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.75
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.75
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.75
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.75
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.75
NPS	(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid	A	2VDB	0.75
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	B,C	1JX1	0.7
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1JX0	0.7
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1FM7	0.7
D18	2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURAN	B	298D	0.71
NRO	3-[5-(2-nitropent-1-en-1-yl)furan- 2-yl]benzoic acid	A,B	2ZK5	0.71
397	2-(4-HYDROXY-PHENYL)BENZOFURAN- 5-OL	A,B	1U9E	0.84
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	L	1FLR	0.72
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	A,B	1N0S	0.72
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	C,L	1T66	0.72
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	A	1X9Q	0.72
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	A,D	2NMV	0.72
VII	2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID	A,B	2GFK	0.76
R17	ALLYL-{4-[3-(4-BROMO-PHENYL)-BENZOFURAN- 6-YLOXY]-BUT-2-ENYL}-METHYL-AMINE	A,B,C	1O6Q	0.73
FDS	FLUORESCIN	H	4FAB	0.73
FLN	2-PHENYL-4H-CHROMEN-4-ONE	A	2G0L	0.79
A04	5-[2-(TRIFLUOROMETHOXY)PHENYL]- 2-FUROIC ACID	A	2Q94	0.72
B29	[2-(3-DIBENZOFURAN-4-YL-PHENYL)- 1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID	A,B	2E98	0.82
B29	[2-(3-DIBENZOFURAN-4-YL-PHENYL)- 1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID	A,B	2E93	0.82
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.74
ZZ1	4-METHYL-2H-CHROMEN-2-ONE	A	2CIP	0.73
TON	2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL	A,B	1SEZ	0.71
BZF	BENZOFURAN	A	182L	0.92
PSO	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	A,B	1FHY	0.77
PSO	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	B	204D	0.77
PSO	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	A,B	2B2B	0.77
PSO	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	B	1FHZ	0.77
PSO	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	A	203D	0.77
BPF	2,5-BIS{[4-(N-ETHYLAMIDINO)]PHENYL}FURAN	A,B	360D	0.7