MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00052496

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
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.74
262	2-FORMYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4D	0.82
VNL	4-HYDROXY-3-METHOXYBENZOATE	A,B,C,D	2AHC	0.73
VNL	4-HYDROXY-3-METHOXYBENZOATE	A	1XLR	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	0.72
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.82
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.82
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.82
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.82
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.82
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.82
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A	2Z9C	0.72
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A,B	1OOQ	0.72
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A,B,C,D,E,F, G,H	2F1O	0.72
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.77
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.77
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.77
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.77
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.77
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.77
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.77
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.77
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.77
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.77
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.77
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.77
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.77
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.77
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.77
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.72
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.72
VXX	VANILLATE	A,B	1WB6	0.72
219	CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4I	0.79
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.71
GRE	2,6-DIHYDROXYBENZOIC ACID	A,B,C,D	2DVU	0.73
4BR	2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE	A	1PE7	0.7
BZF	BENZOFURAN	A	182L	0.79
FHI		A,B	1Y1D	0.71
MPP	3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID	A,B	2AY3	0.73
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
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.8
TOM	4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID	A	2IMF	0.77
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.74
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.74
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
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A,B	3B56	0.73
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A	2BXL	0.73
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOD	0.72
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOE	0.72
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1PBB	0.72
BHF	2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE	A	2HI4	0.73
LY2	2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN- 4-ONE	A	1YI3	0.7
LY2	2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN- 4-ONE	A	1E7V	0.7
B21	5-(2-METHOXYPHENYL)-2-FUROIC ACID	A	2Q93	0.72
ZHZ	2-(4-METHOXYPHENYL)ACETAMIDE	D,H	2HKR	0.75
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	2BXE	0.73
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	3D2T	0.73
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3CMP	0.71
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MD9	0.71
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MDB	0.71
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	1L6M	0.71
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3BY0	0.71
A04	5-[2-(TRIFLUOROMETHOXY)PHENYL]- 2-FUROIC ACID	A	2Q94	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	0.76
BEK	2,3,5,6-TETRAFLUORO-4-METHOXY-BENZAMIDE	A	1KJR	0.71
FHB	3-FLUORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCF	0.74
2PB	2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE	A	1SDE	0.75
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.71
23A	2,3-DIHYDROXYBENZALDEHYDE	A,B,C,D	2DVX	0.78
300	2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE	A	1O41	0.84
COU	COUMARIN	A	3CRB	0.74
COU	COUMARIN	A	2PMJ	0.74
COU	COUMARIN	A	2H90	0.74
COU	COUMARIN	A,B,C,D	1Z10	0.74
COU	COUMARIN	A	2PWB	0.74
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.77
FLN	2-PHENYL-4H-CHROMEN-4-ONE	A	2G0L	0.82
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
V55	4-hydroxy-3-methoxybenzaldehyde	B,D,E,F	2VSS	0.78
V55	4-hydroxy-3-methoxybenzaldehyde	A,B,D,E,F	2VSU	0.78
HMO	4'-HYDROXY-7-METHOXYISOFLAVONE	A	1FP2	0.75
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.77
GEN	GENISTEIN	A	1QKM	0.75
GEN	GENISTEIN	A,B	1X7J	0.75
GEN	GENISTEIN	A,B	2QA8	0.75
GEN	GENISTEIN	A	1X7R	0.75
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
AGI	5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one	A,B,C,D,E,F	3CF9	0.72
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
KMP	3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A,B,C,D	1H1M	0.7
KMP	3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	2C1Z	0.7
SB8	2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE	A	2AIA	0.7
JUG	5-hydroxynaphthalene-1,4-dione	A,B,C,D,E,F	3B7J	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	0.72
GRR	(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid	A	3CDS	0.7
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	B,C	1JX1	0.73
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1JX0	0.73
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1FM7	0.73
QSO	5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one	A,B	2QYO	0.75
NPS	(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid	A	2VDB	0.7
PSN	BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4K	0.8
ZZ1	4-METHYL-2H-CHROMEN-2-ONE	A	2CIP	0.73
TF5	2-[(2',3',4'-TRIFLUOROBIPHENYL- 2-YL)OXY]ETHANOL	A,B	2OP3	0.71
DDC	7-HYDROXY-2-PHENYL-CHROMAN-4-ONE	A,B	1FM8	0.74
299	2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4E	0.78