MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00023334

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
300	2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE	A	1O41	0.82
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.75
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.75
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.71
4BR	2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE	A	1PE7	0.72
BHF	2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE	A	2HI4	0.7
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.71
QSO	5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one	A,B	2QYO	0.71
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.73
ZZ1	4-METHYL-2H-CHROMEN-2-ONE	A	2CIP	0.71
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
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.82
PSN	BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4K	0.74
TOM	4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID	A	2IMF	0.75
HMO	4'-HYDROXY-7-METHOXYISOFLAVONE	A	1FP2	0.71
VNL	4-HYDROXY-3-METHOXYBENZOATE	A,B,C,D	2AHC	0.77
VNL	4-HYDROXY-3-METHOXYBENZOATE	A	1XLR	0.77
FHB	3-FLUORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCF	0.74
GEN	GENISTEIN	A	1QKM	0.71
GEN	GENISTEIN	A,B	1X7J	0.71
GEN	GENISTEIN	A,B	2QA8	0.71
GEN	GENISTEIN	A	1X7R	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.76
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.76
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.76
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.76
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.76
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.76
34D	3,5-DIHYDROXYBENZOATE	A,B	2BX7	0.71
BZF	BENZOFURAN	A	182L	0.78
ZHZ	2-(4-METHOXYPHENYL)ACETAMIDE	D,H	2HKR	0.76
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.84
VXX	VANILLATE	A,B	1WB6	0.76
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.76
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.76
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.71
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.71
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.71
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.71
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.71
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.71
COU	COUMARIN	A	3CRB	0.73
COU	COUMARIN	A	2PMJ	0.73
COU	COUMARIN	A	2H90	0.73
COU	COUMARIN	A,B,C,D	1Z10	0.73
COU	COUMARIN	A	2PWB	0.73
HBA	P-HYDROXYBENZALDEHYDE	A	1K03	0.79
HBA	P-HYDROXYBENZALDEHYDE	A,B	2VQ5	0.79
HBA	P-HYDROXYBENZALDEHYDE	A,B	1EB9	0.79
HBA	P-HYDROXYBENZALDEHYDE	A	2GQ9	0.79
HBA	P-HYDROXYBENZALDEHYDE	A,B	1Z42	0.79
HBA	P-HYDROXYBENZALDEHYDE	A	1OYB	0.79
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.76
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.76
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.8
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.8
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.8
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.8
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.8
262	2-FORMYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4D	0.75
JUG	5-hydroxynaphthalene-1,4-dione	A,B,C,D,E,F	3B7J	0.72
SB8	2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE	A	2AIA	0.74
299	2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4E	0.72
4FE	(2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid	A	3CBG	0.73
BEK	2,3,5,6-TETRAFLUORO-4-METHOXY-BENZAMIDE	A	1KJR	0.72
NPS	(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid	A	2VDB	0.72
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
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,C,E	1KYZ	0.73
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1JT2	0.73
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	6ATJ	0.73
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B	1GKL	0.73
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1GWT	0.73
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B,C	2BJH	0.73
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1GW2	0.73
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	3CBG	0.73
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	2BNJ	0.73
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B	1UWC	0.73
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	7ATJ	0.73
MPP	3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID	A,B	2AY3	0.76
219	CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4I	0.73
V55	4-hydroxy-3-methoxybenzaldehyde	B,D,E,F	2VSS	0.84
V55	4-hydroxy-3-methoxybenzaldehyde	A,B,D,E,F	2VSU	0.84
EMF	ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate	A,B	2QZZ	0.7
EMF	ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate	A,B	2R2G	0.7
EUG	2-METHOXY-4-VINYL-PHENOL	A	2QU9	0.71
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1QLU	0.71
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1J	0.71
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	2VAO	0.71
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1K	0.71
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1DZN	0.71
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1L	0.71
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1M	0.71
23A	2,3-DIHYDROXYBENZALDEHYDE	A,B,C,D	2DVX	0.76
SYR	SYRINGATE	A,B	1WB5	0.73
FLN	2-PHENYL-4H-CHROMEN-4-ONE	A	2G0L	0.76