MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01472707

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
4MU	7-hydroxy-4-methyl-2H-chromen-2- one	A,B	3ETS	0.88
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	A,B,C,D,I,J, K,L	3EWF	0.7
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	A,B,I,L	2V5W	0.7
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	B	1VDN	0.7
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	C	1VAI	0.7
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.71
FLN	2-PHENYL-4H-CHROMEN-4-ONE	A	2G0L	0.73
YZ9	7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTER	A,B,C	1GCZ	0.87
PFI	(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO- 4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY- 5,6-DIHYDRO-2H-PYRAN-2-ONE	A	2HAI	0.74
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.73
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.73
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.73
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.73
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.73
ORE	4-(2,7-DIFLUORO-6-HYDROXY-3-OXO- 3H-XANTHEN-9-YL)ISOPHTHALIC ACID	H,I	2A9N	0.71
TOM	4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID	A	2IMF	0.75
AJA	(6AR,10AR)-3-(1,1-DIMETHYLHEPTYL)- 1-HYDROXY-6,6-DIMETHYL-6A,7,10,10A- TETRAHYDRO-6H-BENZO[C]CHROMENE- 9-CARBOXYLIC ACID	A,B,C,D	2OM9	0.72
PSO	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	A,B	1FHY	0.71
PSO	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	B	204D	0.71
PSO	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	A,B	2B2B	0.71
PSO	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	B	1FHZ	0.71
PSO	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	A	203D	0.71
HOM	7-HYDROXY-4-METHYL-3-(2-HYDROXY- ETHYL)COUMARIN	C,D	1CJF	0.85
KOM	7,8-dihydroxy-4-phenyl-2H-chromen- 2-one	A	2ZVJ	0.79
SAK	(2S)-5-hydroxy-2-(4-hydroxyphenyl)- 7-methoxy-2,3-dihydro-4H-chromen- 4-one	A,B,C,D,E,F	3D04	0.71
COU	COUMARIN	A	3CRB	0.88
COU	COUMARIN	A	2PMJ	0.88
COU	COUMARIN	A	2H90	0.88
COU	COUMARIN	A,B,C,D	1Z10	0.88
COU	COUMARIN	A	2PWB	0.88
C17	7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H- CHROMENE-4-CARBALDEHYDE	A,B	2V60	0.78
SXX	SINAPINATE	A,B	1WB4	0.75
WST	(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 9-OL	A,B	2POG	0.72
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	L	1FLR	0.76
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	A,B	1N0S	0.76
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	C,L	1T66	0.76
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	A	1X9Q	0.76
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	A,D	2NMV	0.76
RWF	R-WARFARIN	A,B	2BXD	0.72
KMP	3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A,B,C,D	1H1M	0.72
KMP	3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	2C1Z	0.72
G12	3,8-DIBROMO-7-HYDROXY-4-METHYL- 2H-CHROMEN-2-ONE	A	2QC6	0.79
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	B,C	1JX1	0.72
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1JX0	0.72
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1FM7	0.72
667	6-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA[C][1]BENZOPYRAN- 3-O-SULFAMATE	A	1TTM	0.83
NAR	NARINGENIN	A,B	2UXU	0.72
NAR	NARINGENIN	A	2BRT	0.72
NAR	NARINGENIN	A	1CGK	0.72
NAR	NARINGENIN	A,B	1EYQ	0.72
EGT	2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN- 3,5,7-TRIOL	A	1JNQ	0.7
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.74
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.74
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.74
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.74
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.74
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.74
QSO	5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one	A,B	2QYO	0.72
HXP	3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACID	A	1XAN	0.74
SN1	2,4-DIHYDROXY-TRANS CINNAMIC ACID	1	1K2I	0.75
8MO	METHOXSALEN	A,B,C,D	1Z11	0.72
C18	7-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]- 2H-CHROMEN-2-ONE	A,B	2V61	0.75
4BR	2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE	A	1PE7	0.71
2C2	(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID	A	2IME	0.74
2C2	(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID	A	2IMD	0.74
NOA	NAPHTHYLOXYACETIC ACID	A,B,I	1HIV	0.72
NOA	NAPHTHYLOXYACETIC ACID	I	1IVP	0.72
SWF	S-WARFARIN	A,B	1OG5	0.72
8CM	8-HYDROXYCOUMARIN	A	2H8Z	0.78
GEN	GENISTEIN	A	1QKM	0.73
GEN	GENISTEIN	A,B	1X7J	0.73
GEN	GENISTEIN	A,B	2QA8	0.73
GEN	GENISTEIN	A	1X7R	0.73
5TN	(2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL- 3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-YL)PHENYL]ACRYLIC ACID	A	2P1V	0.71
ZZ1	4-METHYL-2H-CHROMEN-2-ONE	A	2CIP	0.84
FDS	FLUORESCIN	H	4FAB	0.73
DDC	7-HYDROXY-2-PHENYL-CHROMAN-4-ONE	A,B	1FM8	0.73
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.72
U03	4-HYDROXY-7-METHOXY-3-(1-PHENYL- PROPYL)-CHROMEN-2-ONE	A	3UPJ	0.8
BR3	(6-METHYL-3,4-DIHYDRO-2H-CHROMEN- 2-YL)METHYLPHOSPHINATE	A	1PE5	0.71
4HC	4-HYDROXY-2H-CHROMEN-2-ONE	A,B	1V5Y	0.85
4TN	(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)-4-HYDROXYPHENYL]ACRYLIC ACID	A	2P1U	0.71
BRZ	6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY- 1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2- G]CHROMEN-7-ONE	C	1K3T	0.79
WRR	4-HYDROXY-3-[(1S,3R)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE	A	1H9Z	0.76
HMO	4'-HYDROXY-7-METHOXYISOFLAVONE	A	1FP2	0.72
DBA	(2,6-DIMETHYL-PHENOXY)-ACETIC ACID	A,B	1IDB	0.73
MUG	4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSE	A,B,C,D	1CJP	0.79
AGI	5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one	A,B,C,D,E,F	3CF9	0.74
WRS	4-HYDROXY-3-[(1S,3S)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE	A	1HA2	0.76