MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00102810

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
LY2	2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN- 4-ONE	A	1YI3	0.73
LY2	2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN- 4-ONE	A	1E7V	0.73
BZF	BENZOFURAN	A	182L	0.71
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A	2Z9C	0.77
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A,B	1OOQ	0.77
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A,B,C,D,E,F, G,H	2F1O	0.77
FDS	FLUORESCIN	H	4FAB	0.71
DZN	DAIDZIN	A,B,C,D,E,F, G,H	2VLE	0.71
RWF	R-WARFARIN	A,B	2BXD	0.74
R19	ALLYL-{6-[3-(4-BROMO-PHENYL)-BENZOFURAN- 6-YLOXY]-HEXYL-}-METHYL-AMIN	A,B,C	1O6R	0.73
U03	4-HYDROXY-7-METHOXY-3-(1-PHENYL- PROPYL)-CHROMEN-2-ONE	A	3UPJ	0.72
BHF	2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE	A	2HI4	0.85
OEF	3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACID	A	2J4A	0.76
R02	{4-[((1S,2S)-2-{[ALLYL(CYCLOPROPYL)AMINO]METHYL}CYCLOPROPYL)METHOXY]PHENYL}(4- BROMOPHENYL)METHANONE	A,B,C	1H37	0.74
R71	[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE	A	1W6J	0.78
R71	[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE	A,B,C	1GSZ	0.78
ADL	(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID	A,B	1N5S	0.7
FL9		A,B	1THC	0.74
GEN	GENISTEIN	A	1QKM	0.76
GEN	GENISTEIN	A,B	1X7J	0.76
GEN	GENISTEIN	A,B	2QA8	0.76
GEN	GENISTEIN	A	1X7R	0.76
SIG	STIGMATELLIN	C,D,E	2BCC	0.71
SIG	STIGMATELLIN	C,D,E	3BCC	0.71
VII	2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID	A,B	2GFK	0.72
SMA	STIGMATELLIN A	A,C,D,E,N,P, Q,R	3H1I	0.7
SMA	STIGMATELLIN A	A,B,C,D,E,F, G,O,P,Q,R,S,T	1PPJ	0.7
SMA	STIGMATELLIN A	A,C,D,E,L,N, O,P,W	3CXH	0.7
SMA	STIGMATELLIN A	C,D,E,P,Q,R	1ZRT	0.7
SMA	STIGMATELLIN A	C,H,L,M	2JBL	0.7
SMA	STIGMATELLIN A	A,B,C,D,E,F, G,I,N,O,P,Q, R,S,T,U,V,W	2A06	0.7
SMA	STIGMATELLIN A	A,B,C,D,E,F, G,H,I,J,K,L	2QJP	0.7
SMA	STIGMATELLIN A	A,C,D,E	1KB9	0.7
SMA	STIGMATELLIN A	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R	2QJK	0.7
SMA	STIGMATELLIN A	A,B,C,D,E,F, G,N,O,P,Q,R, S,T	1PP9	0.7
SMA	STIGMATELLIN A	C,D,E	2IBZ	0.7
SMA	STIGMATELLIN A	A,C,D,E,L,N, O,P,W	3CX5	0.7
SMA	STIGMATELLIN A	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R	2FYN	0.7
SMA	STIGMATELLIN A	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R	2QJY	0.7
SMA	STIGMATELLIN A	C,D,E	1EZV	0.7
SMA	STIGMATELLIN A	C,D,E,N,O,P,W	1KYO	0.7
SMA	STIGMATELLIN A	A,C,D,E,G,N, P,Q,R,S	3H1J	0.7
SMA	STIGMATELLIN A	C,D,E	1SQX	0.7
FSE	3,7,3',4'-TETRAHYDROXYFLAVONE	B	1XO2	0.75
ORE	4-(2,7-DIFLUORO-6-HYDROXY-3-OXO- 3H-XANTHEN-9-YL)ISOPHTHALIC ACID	H,I	2A9N	0.72
FL8	6,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONE	B,C	1KGJ	0.86
MYC	3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A,B,C,D	3C1T	0.73
MYC	3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	2O63	0.73
MYC	3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	1E90	0.73
MYC	3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A,B,C,D	2IOD	0.73
QSO	5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one	A,B	2QYO	0.77
MYF	5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	2O65	0.74
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.78
DH2	(2S,3S)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE	A	1GP5	0.7
DH2	(2S,3S)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE	A	1GP6	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
SAK	(2S)-5-hydroxy-2-(4-hydroxyphenyl)- 7-methoxy-2,3-dihydro-4H-chromen- 4-one	A,B,C,D,E,F	3D04	0.75
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	0.73
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	L	1FLR	0.75
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	A,B	1N0S	0.75
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	C,L	1T66	0.75
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	A	1X9Q	0.75
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	A,D	2NMV	0.75
789	3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE	A,B	1ZAF	0.72
AGI	5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one	A,B,C,D,E,F	3CF9	0.77
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.73
COU	COUMARIN	A	3CRB	0.72
COU	COUMARIN	A	2PMJ	0.72
COU	COUMARIN	A	2H90	0.72
COU	COUMARIN	A,B,C,D	1Z10	0.72
COU	COUMARIN	A	2PWB	0.72
DDC	7-HYDROXY-2-PHENYL-CHROMAN-4-ONE	A,B	1FM8	0.75
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	B,C	1JX1	0.74
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1JX0	0.74
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1FM7	0.74
NAR	NARINGENIN	A,B	2UXU	0.74
NAR	NARINGENIN	A	2BRT	0.74
NAR	NARINGENIN	A	1CGK	0.74
NAR	NARINGENIN	A,B	1EYQ	0.74
OAL	(1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID	B	1N5T	0.71
SDN	[(3S)-9-hydroxy-1-methyl-10-oxo- 4,10-dihydro-3H-benzo[g]isochromen- 3-yl]acetic acid	A,B	3B6C	0.72
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B,C,D,E,F	3BXX	0.74
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A	2O3P	0.74
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B	2UXH	0.74
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A	1GP6	0.74
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A	2C9Z	0.74
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B,C,D,E,F, G,H,I,J,K,L, M,N	2JJ2	0.74
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A	3BPT	0.74
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B,C,D,E,F	3CF8	0.74
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B	2HCK	0.74
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B,C,D	1H1I	0.74
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A	1E8W	0.74
HMO	4'-HYDROXY-7-METHOXYISOFLAVONE	A	1FP2	0.77
FLN	2-PHENYL-4H-CHROMEN-4-ONE	A	2G0L	0.87
DBF	DIBENZOFURAN-4,6-DICARBOXYLIC ACID	B	1DVU	0.7
NPS	(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid	A	2VDB	0.7
WRR	4-HYDROXY-3-[(1S,3R)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE	A	1H9Z	0.71
ZZ1	4-METHYL-2H-CHROMEN-2-ONE	A	2CIP	0.73
MYU	3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	2O64	0.73
R17	ALLYL-{4-[3-(4-BROMO-PHENYL)-BENZOFURAN- 6-YLOXY]-BUT-2-ENYL}-METHYL-AMINE	A,B,C	1O6Q	0.74
R88	(4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT- 2-ENYL}OXY)PHENYL]METHANONE	A,B,C	1H36	0.78
KMP	3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A,B,C,D	1H1M	0.75
KMP	3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	2C1Z	0.75
ERD	(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7- DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN- 4-ONE	D,F	2NNL	0.72
2HI	(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)- 2,3-DIHYDRO-4H-CHROMEN-4-ONE	A	1ZG3	0.72
SWF	S-WARFARIN	A,B	1OG5	0.74
300	2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE	A	1O41	0.7
U01	3-[1-(4-BROMO-PHENYL)-2-METHYL- PROPYL]-4-HYDROXY-CHROMEN-2-ONE	A	1UPJ	0.83
SB8	2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE	A	2AIA	0.72
WRS	4-HYDROXY-3-[(1S,3S)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE	A	1HA2	0.71
DQH	(2R,3R)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE	A	1GP5	0.7
DQH	(2R,3R)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE	D,F	2C29	0.7