MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00275615

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
SXX	SINAPINATE	A,B	1WB4	0.72
EUG	2-METHOXY-4-VINYL-PHENOL	A	2QU9	0.74
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1QLU	0.74
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1J	0.74
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	2VAO	0.74
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1K	0.74
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1DZN	0.74
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1L	0.74
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1M	0.74
TRT	FRAGMENT OF TRITON X-100	A,E	2I0U	0.72
TRT	FRAGMENT OF TRITON X-100	A,B	1OIZ	0.72
5PP	5-PENTYL-2-PHENOXYPHENOL	A,B,C,D,E,F	2B36	0.71
8PS	5-OCTYL-2-PHENOXYPHENOL	A,B,C,D,E,F	2B37	0.71
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.82
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.73
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.73
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.71
4BR	2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE	A	1PE7	0.72
4FE	(2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid	A	3CBG	0.76
DH2	(2S,3S)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE	A	1GP5	0.71
DH2	(2S,3S)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE	A	1GP6	0.71
300	2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE	A	1O41	0.83
ZHZ	2-(4-METHOXYPHENYL)ACETAMIDE	D,H	2HKR	0.72
23A	2,3-DIHYDROXYBENZALDEHYDE	A,B,C,D	2DVX	0.73
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	0.7
FLN	2-PHENYL-4H-CHROMEN-4-ONE	A	2G0L	0.75
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,C,E	1KYZ	0.76
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1JT2	0.76
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	6ATJ	0.76
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B	1GKL	0.76
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1GWT	0.76
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B,C	2BJH	0.76
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1GW2	0.76
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	3CBG	0.76
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	2BNJ	0.76
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B	1UWC	0.76
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	7ATJ	0.76
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.76
8CM	8-HYDROXYCOUMARIN	A	2H8Z	0.71
397	2-(4-HYDROXY-PHENYL)BENZOFURAN- 5-OL	A,B	1U9E	0.71
HBA	P-HYDROXYBENZALDEHYDE	A	1K03	0.75
HBA	P-HYDROXYBENZALDEHYDE	A,B	2VQ5	0.75
HBA	P-HYDROXYBENZALDEHYDE	A,B	1EB9	0.75
HBA	P-HYDROXYBENZALDEHYDE	A	2GQ9	0.75
HBA	P-HYDROXYBENZALDEHYDE	A,B	1Z42	0.75
HBA	P-HYDROXYBENZALDEHYDE	A	1OYB	0.75
FSE	3,7,3',4'-TETRAHYDROXYFLAVONE	B	1XO2	0.71
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.74
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.74
B21	5-(2-METHOXYPHENYL)-2-FUROIC ACID	A	2Q93	0.72
MPP	3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID	A,B	2AY3	0.78
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.78
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.78
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.78
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.78
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.78
MYF	5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	2O65	0.71
E20	1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON- 2-YL)METHYL]PIPERIDINE	A	1EVE	0.7
DQH	(2R,3R)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE	A	1GP5	0.71
DQH	(2R,3R)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE	D,F	2C29	0.71
TDS	8-HYDROXY-5,7-DIMETHOXY-3-METHYL- 2-TRIDECYL-4H-CHROMEN-4-ONE	A,B,C,D,L,R	1Q90	0.73
TDS	8-HYDROXY-5,7-DIMETHOXY-3-METHYL- 2-TRIDECYL-4H-CHROMEN-4-ONE	A,B,C,D,G	2E76	0.73
TDS	8-HYDROXY-5,7-DIMETHOXY-3-METHYL- 2-TRIDECYL-4H-CHROMEN-4-ONE	A,B,C,D,E,N, O,P,Q,R	1VF5	0.73
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
SB8	2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE	A	2AIA	0.73
EMF	ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate	A,B	2QZZ	0.74
EMF	ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate	A,B	2R2G	0.74
8MO	METHOXSALEN	A,B,C,D	1Z11	0.72
SIG	STIGMATELLIN	C,D,E	2BCC	0.73
SIG	STIGMATELLIN	C,D,E	3BCC	0.73
MGI	methyl 4-(2,3-dihydroxy-5-methylphenoxy)- 2-hydroxy-6-methylbenzoate	A	2ZA0	0.73
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B,C,D,E,F	3BXX	0.7
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A	2O3P	0.7
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B	2UXH	0.7
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A	1GP6	0.7
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A	2C9Z	0.7
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B,C,D,E,F, G,H,I,J,K,L, M,N	2JJ2	0.7
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A	3BPT	0.7
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B,C,D,E,F	3CF8	0.7
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B	2HCK	0.7
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B,C,D	1H1I	0.7
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A	1E8W	0.7
SYR	SYRINGATE	A,B	1WB5	0.78
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
DHB	3,4-DIHYDROXYBENZOIC ACID	B	2BV0	0.71
DHB	3,4-DIHYDROXYBENZOIC ACID	A,B,D,F,H,J,L	1YKP	0.71
DHB	3,4-DIHYDROXYBENZOIC ACID	A	1N8Q	0.71
DHB	3,4-DIHYDROXYBENZOIC ACID	A,B	2BSL	0.71
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D,F,H,J,L	1YKL	0.71
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D	1B4U	0.71
DHB	3,4-DIHYDROXYBENZOIC ACID	A	3DX5	0.71
DHB	3,4-DIHYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCA	0.71
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D,F,H,J,L	1YKN	0.71
DHB	3,4-DIHYDROXYBENZOIC ACID	B	1EOB	0.71
DHB	3,4-DIHYDROXYBENZOIC ACID	A	1PHH	0.71
DHB	3,4-DIHYDROXYBENZOIC ACID	B	2BUV	0.71
ZZ1	4-METHYL-2H-CHROMEN-2-ONE	A	2CIP	0.7
VXX	VANILLATE	A,B	1WB6	0.81
MYU	3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	2O64	0.7
V55	4-hydroxy-3-methoxybenzaldehyde	B,D,E,F	2VSS	0.89
V55	4-hydroxy-3-methoxybenzaldehyde	A,B,D,E,F	2VSU	0.89
VNL	4-HYDROXY-3-METHOXYBENZOATE	A,B,C,D	2AHC	0.81
VNL	4-HYDROXY-3-METHOXYBENZOATE	A	1XLR	0.81
EAA	ETHACRYNIC ACID	A,B	3DGQ	0.7
EAA	ETHACRYNIC ACID	A,B	11GS	0.7
EAA	ETHACRYNIC ACID	A,B,C,D	1GSF	0.7
EAA	ETHACRYNIC ACID	A,B	2GSS	0.7
EAA	ETHACRYNIC ACID	A,B	3GSS	0.7
EAA	ETHACRYNIC ACID	A,B	1GSE	0.7
SMA	STIGMATELLIN A	A,C,D,E,N,P, Q,R	3H1I	0.73
SMA	STIGMATELLIN A	A,B,C,D,E,F, G,O,P,Q,R,S,T	1PPJ	0.73
SMA	STIGMATELLIN A	A,C,D,E,L,N, O,P,W	3CXH	0.73
SMA	STIGMATELLIN A	C,D,E,P,Q,R	1ZRT	0.73
SMA	STIGMATELLIN A	C,H,L,M	2JBL	0.73
SMA	STIGMATELLIN A	A,B,C,D,E,F, G,I,N,O,P,Q, R,S,T,U,V,W	2A06	0.73
SMA	STIGMATELLIN A	A,B,C,D,E,F, G,H,I,J,K,L	2QJP	0.73
SMA	STIGMATELLIN A	A,C,D,E	1KB9	0.73
SMA	STIGMATELLIN A	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R	2QJK	0.73
SMA	STIGMATELLIN A	A,B,C,D,E,F, G,N,O,P,Q,R, S,T	1PP9	0.73
SMA	STIGMATELLIN A	C,D,E	2IBZ	0.73
SMA	STIGMATELLIN A	A,C,D,E,L,N, O,P,W	3CX5	0.73
SMA	STIGMATELLIN A	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R	2FYN	0.73
SMA	STIGMATELLIN A	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R	2QJY	0.73
SMA	STIGMATELLIN A	C,D,E	1EZV	0.73
SMA	STIGMATELLIN A	C,D,E,N,O,P,W	1KYO	0.73
SMA	STIGMATELLIN A	A,C,D,E,G,N, P,Q,R,S	3H1J	0.73
SMA	STIGMATELLIN A	C,D,E	1SQX	0.73
TON	2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL	A,B	1SEZ	0.71
GRR	(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid	A	3CDS	0.72
MAX	MATAIRESINOL	A	2BGM	0.73
ERD	(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7- DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN- 4-ONE	D,F	2NNL	0.72
BZF	BENZOFURAN	A	182L	0.74
CIO	CILOMILAST	A,B	1XOM	0.71
CIO	CILOMILAST	A,B	1XLX	0.71