MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02878252

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
TOM	4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID	A	2IMF	0.7
HBA	P-HYDROXYBENZALDEHYDE	A	1K03	0.78
HBA	P-HYDROXYBENZALDEHYDE	A,B	2VQ5	0.78
HBA	P-HYDROXYBENZALDEHYDE	A,B	1EB9	0.78
HBA	P-HYDROXYBENZALDEHYDE	A	2GQ9	0.78
HBA	P-HYDROXYBENZALDEHYDE	A,B	1Z42	0.78
HBA	P-HYDROXYBENZALDEHYDE	A	1OYB	0.78
TRT	FRAGMENT OF TRITON X-100	A,E	2I0U	0.72
TRT	FRAGMENT OF TRITON X-100	A,B	1OIZ	0.72
FUX	5-HYDROXYMETHYL-FURFURAL	A,B,C,D	1QXE	0.71
AGI	5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one	A,B,C,D,E,F	3CF9	0.71
SYR	SYRINGATE	A,B	1WB5	0.71
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A	2Z9C	0.7
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A,B	1OOQ	0.7
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A,B,C,D,E,F, G,H	2F1O	0.7
VNL	4-HYDROXY-3-METHOXYBENZOATE	A,B,C,D	2AHC	0.74
VNL	4-HYDROXY-3-METHOXYBENZOATE	A	1XLR	0.74
PSN	BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4K	0.7
258	(2-chloroethoxy)benzene	X	2RAY	0.75
ZZ1	4-METHYL-2H-CHROMEN-2-ONE	A	2CIP	0.71
DBA	(2,6-DIMETHYL-PHENOXY)-ACETIC ACID	A,B	1IDB	0.71
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.74
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.74
34C	(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID	A,B	1HT8	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1CJ4	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1DOB	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1PXB	0.71
PHB	P-HYDROXYBENZOIC ACID	A,B	1G1B	0.71
PHB	P-HYDROXYBENZOIC ACID	A,B	1YKJ	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1IUV	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1PBE	0.71
PHB	P-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCC	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1PDH	0.71
PHB	P-HYDROXYBENZOIC ACID	B	2BUW	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1CC4	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1CC6	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1IUW	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1FW9	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1G81	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1BGJ	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1IUX	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1CJ3	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1D7L	0.71
PHB	P-HYDROXYBENZOIC ACID	A	2PHH	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1BGN	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1PXA	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1DOC	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1K0I	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1BKW	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1JD3	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1PXC	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1TT8	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1CJ2	0.71
PHB	P-HYDROXYBENZOIC ACID	A,B	1Q4S	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1BF3	0.71
PHB	P-HYDROXYBENZOIC ACID	B	2BUR	0.71
SB8	2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE	A	2AIA	0.71
ZHZ	2-(4-METHOXYPHENYL)ACETAMIDE	D,H	2HKR	0.73
FLN	2-PHENYL-4H-CHROMEN-4-ONE	A	2G0L	0.77
FU2	FURFURAL	A,B,C,D	1QXD	0.71
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.79
C17	7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H- CHROMENE-4-CARBALDEHYDE	A,B	2V60	0.72
EAA	ETHACRYNIC ACID	A,B	3DGQ	0.76
EAA	ETHACRYNIC ACID	A,B	11GS	0.76
EAA	ETHACRYNIC ACID	A,B,C,D	1GSF	0.76
EAA	ETHACRYNIC ACID	A,B	2GSS	0.76
EAA	ETHACRYNIC ACID	A,B	3GSS	0.76
EAA	ETHACRYNIC ACID	A,B	1GSE	0.76
LRG	(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid	A	3B3K	0.71
LRG	(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid	A	3D6D	0.71
MPP	3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID	A,B	2AY3	0.72
VXX	VANILLATE	A,B	1WB6	0.74
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.75
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.75
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
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
FC3	5-[2-(TRIFLUOROMETHYL)PHENYL]-2- FUROIC ACID	A	2EVC	0.7
4BR	2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE	A	1PE7	0.73
300	2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE	A	1O41	0.76
GRR	(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid	A	3CDS	0.73
YRG	(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid	A	3CDP	0.73
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
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
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.72
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
BZF	BENZOFURAN	A	182L	0.77
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.79
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.79
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.79
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.79
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.79
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PIT	0.7
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ1	0.7
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PIU	0.7
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PKL	0.7
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A,B	3D57	0.7
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ2	0.7
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2QPY	0.7
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ0	0.7
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NUO	0.7
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A,B	2PIN	0.7
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	0.73
L1O	4-(2-aminoethoxy)-3,5-dichlorobenzoic acid	A	2VIO	0.71
A18	5-(2-CHLOROBENZYL)-2-FUROIC ACID	A	2Q96	0.73
FCD	5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID	A	1XNZ	0.71
B21	5-(2-METHOXYPHENYL)-2-FUROIC ACID	A	2Q93	0.71
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	0.7
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.74
TON	2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL	A,B	1SEZ	0.71
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.73
GEN	GENISTEIN	A	1QKM	0.7
GEN	GENISTEIN	A,B	1X7J	0.7
GEN	GENISTEIN	A,B	2QA8	0.7
GEN	GENISTEIN	A	1X7R	0.7
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.71
262	2-FORMYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4D	0.7