MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00278108

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
4HC	4-HYDROXY-2H-CHROMEN-2-ONE	A,B	1V5Y	0.71
A18	5-(2-CHLOROBENZYL)-2-FUROIC ACID	A	2Q96	0.71
TRT	FRAGMENT OF TRITON X-100	A,E	2I0U	0.72
TRT	FRAGMENT OF TRITON X-100	A,B	1OIZ	0.72
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.82
AZ2	(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID	A,B	1I7I	0.7
AZ2	(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID	A	1I7G	0.7
PFI	(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO- 4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY- 5,6-DIHYDRO-2H-PYRAN-2-ONE	A	2HAI	0.73
4HP	4-HYDROXYPHENYLACETATE	A,B,C,D	2JBT	0.7
4HP	4-HYDROXYPHENYLACETATE	A	2YYJ	0.7
4HP	4-HYDROXYPHENYLACETATE	A	2YYM	0.7
4HP	4-HYDROXYPHENYLACETATE	B	1AI6	0.7
4HP	4-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCG	0.7
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.7
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.7
SYR	SYRINGATE	A,B	1WB5	0.71
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.78
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.78
VNL	4-HYDROXY-3-METHOXYBENZOATE	A,B,C,D	2AHC	0.74
VNL	4-HYDROXY-3-METHOXYBENZOATE	A	1XLR	0.74
FHB	3-FLUORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCF	0.72
MPP	3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID	A,B	2AY3	0.73
B21	5-(2-METHOXYPHENYL)-2-FUROIC ACID	A	2Q93	0.73
NAR	NARINGENIN	A,B	2UXU	0.76
NAR	NARINGENIN	A	2BRT	0.76
NAR	NARINGENIN	A	1CGK	0.76
NAR	NARINGENIN	A,B	1EYQ	0.76
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	B,C	1JX1	0.76
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1JX0	0.76
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1FM7	0.76
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.75
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.76
DBA	(2,6-DIMETHYL-PHENOXY)-ACETIC ACID	A,B	1IDB	0.71
VII	2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID	A,B	2GFK	0.7
ERD	(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7- DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN- 4-ONE	D,F	2NNL	0.71
FC3	5-[2-(TRIFLUOROMETHYL)PHENYL]-2- FUROIC ACID	A	2EVC	0.72
IHB	3-IODO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCI	0.72
2HI	(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)- 2,3-DIHYDRO-4H-CHROMEN-4-ONE	A	1ZG3	0.71
EAA	ETHACRYNIC ACID	A,B	3DGQ	0.71
EAA	ETHACRYNIC ACID	A,B	11GS	0.71
EAA	ETHACRYNIC ACID	A,B,C,D	1GSF	0.71
EAA	ETHACRYNIC ACID	A,B	2GSS	0.71
EAA	ETHACRYNIC ACID	A,B	3GSS	0.71
EAA	ETHACRYNIC ACID	A,B	1GSE	0.71
TOM	4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID	A	2IMF	0.73
VXX	VANILLATE	A,B	1WB6	0.74
PSN	BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4K	0.73
V55	4-hydroxy-3-methoxybenzaldehyde	B,D,E,F	2VSS	0.82
V55	4-hydroxy-3-methoxybenzaldehyde	A,B,D,E,F	2VSU	0.82
BZF	BENZOFURAN	A	182L	0.82
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A	2Z9C	0.73
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A,B	1OOQ	0.73
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A,B,C,D,E,F, G,H	2F1O	0.73
23A	2,3-DIHYDROXYBENZALDEHYDE	A,B,C,D	2DVX	0.7
300	2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE	A	1O41	0.76
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.77
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.77
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
FU2	FURFURAL	A,B,C,D	1QXD	0.75
T4A		C,D	1KGI	0.72
T4A		A,B	1Z7J	0.72
ZHZ	2-(4-METHOXYPHENYL)ACETAMIDE	D,H	2HKR	0.76
QSO	5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one	A,B	2QYO	0.72
34C	(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID	A,B	1HT8	0.73
SAK	(2S)-5-hydroxy-2-(4-hydroxyphenyl)- 7-methoxy-2,3-dihydro-4H-chromen- 4-one	A,B,C,D,E,F	3D04	0.74
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PIT	0.73
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ1	0.73
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PIU	0.73
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PKL	0.73
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A,B	3D57	0.73
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ2	0.73
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2QPY	0.73
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ0	0.73
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NUO	0.73
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A,B	2PIN	0.73
HBA	P-HYDROXYBENZALDEHYDE	A	1K03	0.81
HBA	P-HYDROXYBENZALDEHYDE	A,B	2VQ5	0.81
HBA	P-HYDROXYBENZALDEHYDE	A,B	1EB9	0.81
HBA	P-HYDROXYBENZALDEHYDE	A	2GQ9	0.81
HBA	P-HYDROXYBENZALDEHYDE	A,B	1Z42	0.81
HBA	P-HYDROXYBENZALDEHYDE	A	1OYB	0.81
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.78
BHF	2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE	A	2HI4	0.71
GRR	(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid	A	3CDS	0.75
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.82
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.82
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.82
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.82
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.82
4BR	2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE	A	1PE7	0.76
FLN	2-PHENYL-4H-CHROMEN-4-ONE	A	2G0L	0.8
262	2-FORMYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4D	0.73
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
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	0.71
COU	COUMARIN	A	3CRB	0.75
COU	COUMARIN	A	2PMJ	0.75
COU	COUMARIN	A	2H90	0.75
COU	COUMARIN	A,B,C,D	1Z10	0.75
COU	COUMARIN	A	2PWB	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1CJ4	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1DOB	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1PXB	0.74
PHB	P-HYDROXYBENZOIC ACID	A,B	1G1B	0.74
PHB	P-HYDROXYBENZOIC ACID	A,B	1YKJ	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1IUV	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1PBE	0.74
PHB	P-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCC	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1PDH	0.74
PHB	P-HYDROXYBENZOIC ACID	B	2BUW	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1CC4	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1CC6	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1IUW	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1FW9	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1G81	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1BGJ	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1IUX	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1CJ3	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1D7L	0.74
PHB	P-HYDROXYBENZOIC ACID	A	2PHH	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1BGN	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1PXA	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1DOC	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1K0I	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1BKW	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1JD3	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1PXC	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1TT8	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1CJ2	0.74
PHB	P-HYDROXYBENZOIC ACID	A,B	1Q4S	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1BF3	0.74
PHB	P-HYDROXYBENZOIC ACID	B	2BUR	0.74
SB8	2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE	A	2AIA	0.74
DDC	7-HYDROXY-2-PHENYL-CHROMAN-4-ONE	A,B	1FM8	0.77
4MP	1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE	A,B	2AL5	0.73
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
ZZ1	4-METHYL-2H-CHROMEN-2-ONE	A	2CIP	0.74
299	2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4E	0.72
397	2-(4-HYDROXY-PHENYL)BENZOFURAN- 5-OL	A,B	1U9E	0.74
R71	[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE	A	1W6J	0.71
R71	[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE	A,B,C	1GSZ	0.71
R88	(4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT- 2-ENYL}OXY)PHENYL]METHANONE	A,B,C	1H36	0.72
BR3	(6-METHYL-3,4-DIHYDRO-2H-CHROMEN- 2-YL)METHYLPHOSPHINATE	A	1PE5	0.71
YRG	(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid	A	3CDP	0.7
FUX	5-HYDROXYMETHYL-FURFURAL	A,B,C,D	1QXE	0.73
HMO	4'-HYDROXY-7-METHOXYISOFLAVONE	A	1FP2	0.72
WRR	4-HYDROXY-3-[(1S,3R)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE	A	1H9Z	0.71
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.75
219	CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4I	0.73
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
TON	2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL	A,B	1SEZ	0.71
LRG	(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid	A	3B3K	0.72
LRG	(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid	A	3D6D	0.72
C17	7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H- CHROMENE-4-CARBALDEHYDE	A,B	2V60	0.71
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	0.71