MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00049915

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
INK	(RP,SP)-O-(2R)-(1-PHENOXYBUT-2- YL)-METHYLPHOSPHONIC ACID CHLORIDE	A	1HQD	0.73
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.71
4FE	(2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid	A	3CBG	0.71
MPP	3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID	A,B	2AY3	0.74
300	2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE	A	1O41	0.83
BR3	(6-METHYL-3,4-DIHYDRO-2H-CHROMEN- 2-YL)METHYLPHOSPHINATE	A	1PE5	0.74
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,C,E	1KYZ	0.71
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1JT2	0.71
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	6ATJ	0.71
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B	1GKL	0.71
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1GWT	0.71
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B,C	2BJH	0.71
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1GW2	0.71
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	3CBG	0.71
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	2BNJ	0.71
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B	1UWC	0.71
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	7ATJ	0.71
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	B,C	1JX1	0.71
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1JX0	0.71
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1FM7	0.71
HBA	P-HYDROXYBENZALDEHYDE	A	1K03	0.77
HBA	P-HYDROXYBENZALDEHYDE	A,B	2VQ5	0.77
HBA	P-HYDROXYBENZALDEHYDE	A,B	1EB9	0.77
HBA	P-HYDROXYBENZALDEHYDE	A	2GQ9	0.77
HBA	P-HYDROXYBENZALDEHYDE	A,B	1Z42	0.77
HBA	P-HYDROXYBENZALDEHYDE	A	1OYB	0.77
V55	4-hydroxy-3-methoxybenzaldehyde	B,D,E,F	2VSS	0.79
V55	4-hydroxy-3-methoxybenzaldehyde	A,B,D,E,F	2VSU	0.79
FLN	2-PHENYL-4H-CHROMEN-4-ONE	A	2G0L	0.75
NAR	NARINGENIN	A,B	2UXU	0.71
NAR	NARINGENIN	A	2BRT	0.71
NAR	NARINGENIN	A	1CGK	0.71
NAR	NARINGENIN	A,B	1EYQ	0.71
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.76
1NH	(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]- 3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE	B	1O1S	0.78
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.78
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.78
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.72
TOM	4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID	A	2IMF	0.75
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.79
GRR	(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid	A	3CDS	0.71
299	2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4E	0.79
262	2-FORMYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4D	0.79
219	CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4I	0.8
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
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
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.83
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.83
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.83
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.83
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.83
HMO	4'-HYDROXY-7-METHOXYISOFLAVONE	A	1FP2	0.73
AGI	5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one	A,B,C,D,E,F	3CF9	0.7
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.79
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.79
PSN	BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4K	0.79
ZHZ	2-(4-METHOXYPHENYL)ACETAMIDE	D,H	2HKR	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1CJ4	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1DOB	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1PXB	0.73
PHB	P-HYDROXYBENZOIC ACID	A,B	1G1B	0.73
PHB	P-HYDROXYBENZOIC ACID	A,B	1YKJ	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1IUV	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1PBE	0.73
PHB	P-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCC	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1PDH	0.73
PHB	P-HYDROXYBENZOIC ACID	B	2BUW	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1CC4	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1CC6	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1IUW	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1FW9	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1G81	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1BGJ	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1IUX	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1CJ3	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1D7L	0.73
PHB	P-HYDROXYBENZOIC ACID	A	2PHH	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1BGN	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1PXA	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1DOC	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1K0I	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1BKW	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1JD3	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1PXC	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1TT8	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1CJ2	0.73
PHB	P-HYDROXYBENZOIC ACID	A,B	1Q4S	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1BF3	0.73
PHB	P-HYDROXYBENZOIC ACID	B	2BUR	0.73
FHB	3-FLUORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCF	0.71
B29	[2-(3-DIBENZOFURAN-4-YL-PHENYL)- 1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID	A,B	2E98	0.71
B29	[2-(3-DIBENZOFURAN-4-YL-PHENYL)- 1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID	A,B	2E93	0.71
VXX	VANILLATE	A,B	1WB6	0.76
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	0.75
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
F6F	2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE	A,B	2CLM	0.74
F6F	2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE	A,B	2CLF	0.74
F6F	2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE	A,B	2CLE	0.74
TRT	FRAGMENT OF TRITON X-100	A,E	2I0U	0.71
TRT	FRAGMENT OF TRITON X-100	A,B	1OIZ	0.71
4BR	2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE	A	1PE7	0.81
2PB	2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE	A	1SDE	0.76
EPL	DIETHYL 4-METHOXYPHENYL PHOSPHATE	A	2R1N	0.77
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
VNL	4-HYDROXY-3-METHOXYBENZOATE	A,B,C,D	2AHC	0.76
VNL	4-HYDROXY-3-METHOXYBENZOATE	A	1XLR	0.76
4MP	1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE	A,B	2AL5	0.72
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.74
CP5	(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}- 2-PHENYLACRYLATE	A	1SCW	0.71
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
BZF	BENZOFURAN	A	182L	0.74
IHB	3-IODO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCI	0.71
QSO	5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one	A,B	2QYO	0.73
SYR	SYRINGATE	A,B	1WB5	0.73
POT	(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE	A	2NW6	0.73