MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00690358

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
DDC	7-HYDROXY-2-PHENYL-CHROMAN-4-ONE	A,B	1FM8	0.71
FC3	5-[2-(TRIFLUOROMETHYL)PHENYL]-2- FUROIC ACID	A	2EVC	0.74
SWF	S-WARFARIN	A,B	1OG5	0.71
D18	2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURAN	B	298D	0.72
AGI	5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one	A,B,C,D,E,F	3CF9	0.71
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A	2Z9C	0.72
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A,B	1OOQ	0.72
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A,B,C,D,E,F, G,H	2F1O	0.72
FDS	FLUORESCIN	H	4FAB	0.71
BGF	2,5-BIS(4-GUANYLPHENYL)FURAN	A	227D	0.75
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.75
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.75
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.75
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.75
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.75
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	B,C	1JX1	0.71
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1JX0	0.71
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1FM7	0.71
TRT	FRAGMENT OF TRITON X-100	A,E	2I0U	0.7
TRT	FRAGMENT OF TRITON X-100	A,B	1OIZ	0.7
697	5-HYDROXY-2-(4-HYDROXYPHENYL)-1- BENZOFURAN-7-CARBONITRILE	A,B	1X76	0.79
TOM	4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID	A	2IMF	0.72
SB8	2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE	A	2AIA	0.71
244	[5-HYDROXY-2-(4-HYDROXYPHENYL)- 1-BENZOFURAN-7-YL]ACETONITRILE	A,B	1X78	0.79
244	[5-HYDROXY-2-(4-HYDROXYPHENYL)- 1-BENZOFURAN-7-YL]ACETONITRILE	A,B	1X7E	0.79
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
BPF	2,5-BIS{[4-(N-ETHYLAMIDINO)]PHENYL}FURAN	A,B	360D	0.71
DBF	DIBENZOFURAN-4,6-DICARBOXYLIC ACID	B	1DVU	0.81
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.72
B29	[2-(3-DIBENZOFURAN-4-YL-PHENYL)- 1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID	A,B	2E98	0.81
B29	[2-(3-DIBENZOFURAN-4-YL-PHENYL)- 1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID	A,B	2E93	0.81
ZHZ	2-(4-METHOXYPHENYL)ACETAMIDE	D,H	2HKR	0.71
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.72
BHF	2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE	A	2HI4	0.76
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.71
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.71
COU	COUMARIN	A	3CRB	0.73
COU	COUMARIN	A	2PMJ	0.73
COU	COUMARIN	A	2H90	0.73
COU	COUMARIN	A,B,C,D	1Z10	0.73
COU	COUMARIN	A	2PWB	0.73
R17	ALLYL-{4-[3-(4-BROMO-PHENYL)-BENZOFURAN- 6-YLOXY]-BUT-2-ENYL}-METHYL-AMINE	A,B,C	1O6Q	0.72
PSO	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	A,B	1FHY	0.74
PSO	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	B	204D	0.74
PSO	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	A,B	2B2B	0.74
PSO	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	B	1FHZ	0.74
PSO	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	A	203D	0.74
T4A		C,D	1KGI	0.7
T4A		A,B	1Z7J	0.7
NAR	NARINGENIN	A,B	2UXU	0.7
NAR	NARINGENIN	A	2BRT	0.7
NAR	NARINGENIN	A	1CGK	0.7
NAR	NARINGENIN	A,B	1EYQ	0.7
A04	5-[2-(TRIFLUOROMETHOXY)PHENYL]- 2-FUROIC ACID	A	2Q94	0.73
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
VII	2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID	A,B	2GFK	0.76
RWF	R-WARFARIN	A,B	2BXD	0.71
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.71
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.71
8MO	METHOXSALEN	A,B,C,D	1Z11	0.75
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.77
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.75
A18	5-(2-CHLOROBENZYL)-2-FUROIC ACID	A	2Q96	0.73
FCD	5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID	A	1XNZ	0.71
GRR	(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid	A	3CDS	0.7
NPS	(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid	A	2VDB	0.72
FLN	2-PHENYL-4H-CHROMEN-4-ONE	A	2G0L	0.81
B21	5-(2-METHOXYPHENYL)-2-FUROIC ACID	A	2Q93	0.76
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.78
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.78
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.78
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.78
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.78
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.78
R19	ALLYL-{6-[3-(4-BROMO-PHENYL)-BENZOFURAN- 6-YLOXY]-HEXYL-}-METHYL-AMIN	A,B,C	1O6R	0.71
SAK	(2S)-5-hydroxy-2-(4-hydroxyphenyl)- 7-methoxy-2,3-dihydro-4H-chromen- 4-one	A,B,C,D,E,F	3D04	0.7
BZF	BENZOFURAN	A	182L	0.96
ZZ1	4-METHYL-2H-CHROMEN-2-ONE	A	2CIP	0.75
300	2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE	A	1O41	0.7
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	L	1FLR	0.7
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	A,B	1N0S	0.7
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	C,L	1T66	0.7
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	A	1X9Q	0.7
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	A,D	2NMV	0.7
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PIT	0.72
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ1	0.72
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PIU	0.72
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PKL	0.72
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A,B	3D57	0.72
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ2	0.72
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2QPY	0.72
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ0	0.72
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NUO	0.72
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A,B	2PIN	0.72