MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02280564

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
ZCT		A,B,C,D,E,F, G,H	3B6A	0.73
HBA	P-HYDROXYBENZALDEHYDE	A	1K03	0.7
HBA	P-HYDROXYBENZALDEHYDE	A,B	2VQ5	0.7
HBA	P-HYDROXYBENZALDEHYDE	A,B	1EB9	0.7
HBA	P-HYDROXYBENZALDEHYDE	A	2GQ9	0.7
HBA	P-HYDROXYBENZALDEHYDE	A,B	1Z42	0.7
HBA	P-HYDROXYBENZALDEHYDE	A	1OYB	0.7
EQI	EQUILIN	A,B	1EQU	0.73
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.75
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.75
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.76
34D	3,5-DIHYDROXYBENZOATE	A,B	2BX7	0.72
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5A	0.79
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5C	0.79
CPH	1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE	A,B	1D83	0.76
CPH	1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE	A,B	1EKH	0.76
CPH	1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE	A,B	1EKI	0.76
CPH	1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE	A,B,C,D	1VAQ	0.76
NGV	METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE	A,B,C,D	2F98	0.78
NGV	METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE	A	1SJW	0.78
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
IPB	5-METHYL-2-(1-METHYLETHYL)PHENOL	A,B	1E06	0.7
GRE	2,6-DIHYDROXYBENZOIC ACID	A,B,C,D	2DVU	0.72
FLV	FLAVIOLIN	A	1ZDW	0.82
FLV	FLAVIOLIN	A	1T93	0.82
FLV	FLAVIOLIN	A	2D09	0.82
JUG	5-hydroxynaphthalene-1,4-dione	A,B,C,D,E,F	3B7J	0.9
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RH4	0.81
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	3CSD	0.81
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHR	0.81
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	1F0Q	0.81
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3C13	0.81
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHC	0.81
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3BQC	0.81
MUF	(8alpha,10alpha,13alpha,17beta)- 17-[(4-hydroxyphenyl)carbonyl]androsta- 3,5-diene-3-carboxylic acid	A,B	3BEJ	0.71
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.75
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.75
789	3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE	A,B	1ZAF	0.83
CRH	1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYROXY-7-METHYLANTHRACENE	A,B	146D	0.71
CRH	1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYROXY-7-METHYLANTHRACENE	A,B	207D	0.71
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.74
DXA	1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE	A,B	1CP8	0.71
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	2BXE	0.76
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	3D2T	0.76
ADL	(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID	A,B	1N5S	0.8
3CA		A,B	2B77	0.71
FBR	(9aS)-4-bromo-9a-butyl-7-hydroxy- 1,2,9,9a-tetrahydro-3H-fluoren- 3-one	A	2GIU	0.79
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.7
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.7
PMA	PYROMELLITIC ACID	A,B	1FUP	0.71
AKV	{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE	A,B,C,D	2F99	0.76
DXB	1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYDROXY-7-METHYL-ANTHRACENE	A,B	1BP8	0.71
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3CMP	0.74
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MD9	0.74
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MDB	0.74
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	1L6M	0.74
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3BY0	0.74
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.76
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.76
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.76
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.76
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.76
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.76
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.76
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.76
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.76
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.76
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.76
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.76
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.76
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.76
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.76
156	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID	A	1FCZ	0.71
FL8	6,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONE	B,C	1KGJ	0.72
OHP	(2-HYDROXYPHENYL)ACETIC ACID	A	2INZ	0.72
G50	3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE	A,B	2UXI	0.74
OAL	(1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID	B	1N5T	0.81
FHI		A,B	1Y1D	0.74
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.73
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.73
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.73
2E3	(2E)-3-[4-hydroxy-3-(3,5,5,8,8- pentamethyl-5,6,7,8-tetrahydronaphthalen- 2-yl)phenyl]prop-2-enoic acid	A	3FUG	0.7
SDN	[(3S)-9-hydroxy-1-methyl-10-oxo- 4,10-dihydro-3H-benzo[g]isochromen- 3-yl]acetic acid	A,B	3B6C	0.77
EQU	EQUILENIN	A,B	1OGX	0.71
EQU	EQUILENIN	A,B,C,D,E,F	1QJG	0.71
EQU	EQUILENIN	A,B	1OH0	0.71
EQU	EQUILENIN	A	1W6Y	0.71
EQU	EQUILENIN	A,B	1CQS	0.71
EQU	EQUILENIN	A	1OGZ	0.71
EQU	EQUILENIN	A	1GS3	0.71
EQU	EQUILENIN	A	1OHO	0.71
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOD	0.71
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOE	0.71
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1PBB	0.71
23A	2,3-DIHYDROXYBENZALDEHYDE	A,B,C,D	2DVX	0.76
AFI	2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]- 3,4-DIHYDROXY-1(2H)-NAPHTHALENONE	A,B	1UUM	0.7
299	2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4E	0.7
NOM	7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO- 1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE- 2,6,11-TRIONE	A	1N5V	0.75