MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00006345

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
IHB	3-IODO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCI	0.74
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.72
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.72
4BR	2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE	A	1PE7	0.72
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
FC3	5-[2-(TRIFLUOROMETHYL)PHENYL]-2- FUROIC ACID	A	2EVC	0.73
FHB	3-FLUORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCF	0.77
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.73
MPP	3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID	A,B	2AY3	0.73
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
FHC	2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE	A	2OPA	0.71
FHC	2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE	A,B,C	1MFI	0.71
FHC	2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE	A,B	1GYY	0.71
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.76
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.78
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.78
23A	2,3-DIHYDROXYBENZALDEHYDE	A,B,C,D	2DVX	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1CJ4	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1DOB	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1PXB	0.76
PHB	P-HYDROXYBENZOIC ACID	A,B	1G1B	0.76
PHB	P-HYDROXYBENZOIC ACID	A,B	1YKJ	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1IUV	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1PBE	0.76
PHB	P-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCC	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1PDH	0.76
PHB	P-HYDROXYBENZOIC ACID	B	2BUW	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1CC4	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1CC6	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1IUW	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1FW9	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1G81	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1BGJ	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1IUX	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1CJ3	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1D7L	0.76
PHB	P-HYDROXYBENZOIC ACID	A	2PHH	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1BGN	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1PXA	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1DOC	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1K0I	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1BKW	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1JD3	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1PXC	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1TT8	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1CJ2	0.76
PHB	P-HYDROXYBENZOIC ACID	A,B	1Q4S	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1BF3	0.76
PHB	P-HYDROXYBENZOIC ACID	B	2BUR	0.76
FU2	FURFURAL	A,B,C,D	1QXD	0.71
PSN	BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4K	0.74
R71	[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE	A	1W6J	0.7
R71	[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE	A,B,C	1GSZ	0.7
HBD	4-HYDROXYBENZAMIDE	B,C,D	1BEN	0.71
A04	5-[2-(TRIFLUOROMETHOXY)PHENYL]- 2-FUROIC ACID	A	2Q94	0.71
VXX	VANILLATE	A,B	1WB6	0.75
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOD	0.7
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOE	0.7
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1PBB	0.7
V55	4-hydroxy-3-methoxybenzaldehyde	B,D,E,F	2VSS	0.83
V55	4-hydroxy-3-methoxybenzaldehyde	A,B,D,E,F	2VSU	0.83
TOM	4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID	A	2IMF	0.74
300	2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE	A	1O41	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
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
AGI	5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one	A,B,C,D,E,F	3CF9	0.7
BZF	BENZOFURAN	A	182L	0.78
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
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.74
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.74
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.74
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.74
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.74
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.74
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
SYR	SYRINGATE	A,B	1WB5	0.72
4FE	(2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid	A	3CBG	0.7
BEK	2,3,5,6-TETRAFLUORO-4-METHOXY-BENZAMIDE	A	1KJR	0.75
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
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
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,C,E	1KYZ	0.7
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1JT2	0.7
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	6ATJ	0.7
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B	1GKL	0.7
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1GWT	0.7
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B,C	2BJH	0.7
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1GW2	0.7
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	3CBG	0.7
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	2BNJ	0.7
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B	1UWC	0.7
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	7ATJ	0.7
262	2-FORMYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4D	0.75
ZZ1	4-METHYL-2H-CHROMEN-2-ONE	A	2CIP	0.7
DDC	7-HYDROXY-2-PHENYL-CHROMAN-4-ONE	A,B	1FM8	0.72
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
SB8	2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE	A	2AIA	0.7
299	2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4E	0.72
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	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
HMO	4'-HYDROXY-7-METHOXYISOFLAVONE	A	1FP2	0.72
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.75
219	CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4I	0.73
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.78
HBA	P-HYDROXYBENZALDEHYDE	A	1K03	0.83
HBA	P-HYDROXYBENZALDEHYDE	A,B	2VQ5	0.83
HBA	P-HYDROXYBENZALDEHYDE	A,B	1EB9	0.83
HBA	P-HYDROXYBENZALDEHYDE	A	2GQ9	0.83
HBA	P-HYDROXYBENZALDEHYDE	A,B	1Z42	0.83
HBA	P-HYDROXYBENZALDEHYDE	A	1OYB	0.83
F6F	2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE	A,B	2CLM	0.72
F6F	2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE	A,B	2CLF	0.72
F6F	2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE	A,B	2CLE	0.72
FLN	2-PHENYL-4H-CHROMEN-4-ONE	A	2G0L	0.76