MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02812944

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
DPF	DIETHYL HYDROGEN PHOSPHATE	A	2R1M	0.88
DPF	DIETHYL HYDROGEN PHOSPHATE	A	2R1K	0.88
DPF	DIETHYL HYDROGEN PHOSPHATE	A,B	3CAK	0.88
P22	ETHYL DIHYDROGEN DIPHOSPHATE	A	1YBH	0.81
P22	ETHYL DIHYDROGEN DIPHOSPHATE	A	1YHZ	0.81
P22	ETHYL DIHYDROGEN DIPHOSPHATE	A	1YI1	0.81
P22	ETHYL DIHYDROGEN DIPHOSPHATE	A,B,C,D	1T9D	0.81
P22	ETHYL DIHYDROGEN DIPHOSPHATE	A	1YI0	0.81
P22	ETHYL DIHYDROGEN DIPHOSPHATE	A	1YHY	0.81
P22	ETHYL DIHYDROGEN DIPHOSPHATE	A,B	1T9B	0.81
P22	ETHYL DIHYDROGEN DIPHOSPHATE	A,B	1T9C	0.81
ATJ	ETHYL HYDROGEN PHOSPHONATE	A,B	2C0P	0.76
P23	PROPYL TRIHYDROGEN DIPHOSPHATE	A,B	1T9A	0.85
P23	PROPYL TRIHYDROGEN DIPHOSPHATE	A,B	1T9C	0.85
PDI	PHOSPHORIC ACID MONO-(3-HYDROXY- PROPYL) ESTER	A,D	1NNJ	0.72
PDI	PHOSPHORIC ACID MONO-(3-HYDROXY- PROPYL) ESTER	B,C	2NPZ	0.72
PDI	PHOSPHORIC ACID MONO-(3-HYDROXY- PROPYL) ESTER	A,D	1PJI	0.72
PDI	PHOSPHORIC ACID MONO-(3-HYDROXY- PROPYL) ESTER	A,B,D,G	1KFV	0.72
PDI	PHOSPHORIC ACID MONO-(3-HYDROXY- PROPYL) ESTER	B	1EJZ	0.72
DEP	DIETHYL PHOSPHONATE	A	1DQY	0.8
DEP	DIETHYL PHOSPHONATE	A	1GCD	0.8
DEP	DIETHYL PHOSPHONATE	A	3DT6	0.8
DEP	DIETHYL PHOSPHONATE	A	2O7V	0.8
DEP	DIETHYL PHOSPHONATE	A,B	3D5E	0.8
DEP	DIETHYL PHOSPHONATE	A	4TGL	0.8
DEP	DIETHYL PHOSPHONATE	A	1ESE	0.8
DEP	DIETHYL PHOSPHONATE	A,B,C,D,E,F, G,H	3DD5	0.8
DEP	DIETHYL PHOSPHONATE	A,B	3DOI	0.8
DEP	DIETHYL PHOSPHONATE	A	1XLW	0.8
DEP	DIETHYL PHOSPHONATE	A	2CUT	0.8
EFS	ETHYL DIHYDROGEN PHOSPHATE	A	1XLV	0.8
EFS	ETHYL DIHYDROGEN PHOSPHATE	A,B	1P6B	0.8
EFS	ETHYL DIHYDROGEN PHOSPHATE	A,B	3CAK	0.8
IPR	ISOPENTYL PYROPHOSPHATE	A,B,C	1YHM	0.77
IPR	ISOPENTYL PYROPHOSPHATE	A	2ABB	0.77
IPR	ISOPENTYL PYROPHOSPHATE	A,B	1RQI	0.77
IPR	ISOPENTYL PYROPHOSPHATE	A,B	1RQJ	0.77
IPR	ISOPENTYL PYROPHOSPHATE	A,B	3DYF	0.77
IPR	ISOPENTYL PYROPHOSPHATE	A	2ABA	0.77
IPR	ISOPENTYL PYROPHOSPHATE	A,B	2FOR	0.77
IPR	ISOPENTYL PYROPHOSPHATE	A	1ZW5	0.77
LX1	L-XYLULOSE 5-PHOSPHATE	A,B	1XBZ	0.71
LX1	L-XYLULOSE 5-PHOSPHATE	A,B	1Q6R	0.71
TEN	TRIETHYL PHOSPHATE	A	1EYW	0.84
MIP	MONOISOPROPYL ESTER PHOSPHONIC ACID	A	1NTP	0.96
MIP	MONOISOPROPYL ESTER PHOSPHONIC ACID	A	1XLU	0.96
MIP	MONOISOPROPYL ESTER PHOSPHONIC ACID	A,B	1O6E	0.96
GD7	(1R)-1,2,2-TRIMETHYLPROPYL (R)- METHYLPHOSPHINATE	A	3DT9	0.74
GD7	(1R)-1,2,2-TRIMETHYLPROPYL (R)- METHYLPHOSPHINATE	A,B	3F97	0.74
GD7	(1R)-1,2,2-TRIMETHYLPROPYL (R)- METHYLPHOSPHINATE	A,B,C,D,E,F	2HRQ	0.74
G3P	SN-GLYCEROL-3-PHOSPHATE	A,B	1Y38	0.74
G3P	SN-GLYCEROL-3-PHOSPHATE	A,B	1WBJ	0.74
G3P	SN-GLYCEROL-3-PHOSPHATE	B	6TIM	0.74
G3P	SN-GLYCEROL-3-PHOSPHATE	A	3EKZ	0.74
G3P	SN-GLYCEROL-3-PHOSPHATE	A,B	2TSY	0.74
G3P	SN-GLYCEROL-3-PHOSPHATE	A,B	1Z82	0.74
G3P	SN-GLYCEROL-3-PHOSPHATE	A,B,C,D	1IXN	0.74
G3P	SN-GLYCEROL-3-PHOSPHATE	A,B	1DC4	0.74
G3P	SN-GLYCEROL-3-PHOSPHATE	A,B,C,D	1IXO	0.74
G3P	SN-GLYCEROL-3-PHOSPHATE	A,B,C,D	1FDJ	0.74
G3P	SN-GLYCEROL-3-PHOSPHATE	A,B	2J9X	0.74
G3P	SN-GLYCEROL-3-PHOSPHATE	A,B,C,D	1QI1	0.74
G3P	SN-GLYCEROL-3-PHOSPHATE	A,B	1OF8	0.74
P25	PENTYL TRIHYDROGEN DIPHOSPHATE	A,B	1T9B	0.79
P25	PENTYL TRIHYDROGEN DIPHOSPHATE	A,B,C,D	1T9D	0.79
HEE	N-HEXYLPHOSPHONATE ETHYL ESTER	A	5TGL	0.71
HEE	N-HEXYLPHOSPHONATE ETHYL ESTER	A	1XZL	0.71
HEE	N-HEXYLPHOSPHONATE ETHYL ESTER	A,B,C,D,E,F	1LBS	0.71
S0H	(S)-2-HYDROXYPROPYLPHOSPHONIC ACID	A,B	1ZZB	0.79
S0H	(S)-2-HYDROXYPROPYLPHOSPHONIC ACID	A,B	1ZZ7	0.79
S0H	(S)-2-HYDROXYPROPYLPHOSPHONIC ACID	A,B,C	1ZZ8	0.79
DFP	DIISOPROPYL PHOSPHONATE	A	1RS0	0.92
DFP	DIISOPROPYL PHOSPHONATE	A,B	1DFP	0.92
DFP	DIISOPROPYL PHOSPHONATE	A,B	3F9C	0.92
DFP	DIISOPROPYL PHOSPHONATE	A	2GZS	0.92
DFP	DIISOPROPYL PHOSPHONATE	A	1DUI	0.92
DFP	DIISOPROPYL PHOSPHONATE	A	1SUE	0.92
DFP	DIISOPROPYL PHOSPHONATE	A,B	1CI9	0.92
DFP	DIISOPROPYL PHOSPHONATE	A,B	1TKR	0.92
DFP	DIISOPROPYL PHOSPHONATE	A,B	1XZK	0.92
DFP	DIISOPROPYL PHOSPHONATE	A	2TGD	0.92
DFP	DIISOPROPYL PHOSPHONATE	A,C	1P8V	0.92
DFP	DIISOPROPYL PHOSPHONATE	A,B	1AT3	0.92
ISP	PHOSPHORYLISOPROPANE	F,G	1GMH	0.96
ISP	PHOSPHORYLISOPROPANE	A	1TRY	0.96
ISP	PHOSPHORYLISOPROPANE	A,B	1TRN	0.96
GP9	(2R)-2,3-dihydroxypropyl phosphate	A	2W5S	0.71
GP9	(2R)-2,3-dihydroxypropyl phosphate	A	2W5R	0.71
GP9	(2R)-2,3-dihydroxypropyl phosphate	A	2W5T	0.71
G2H	2-HYDROXY-1-(HYDROXYMETHYL)ETHYL DIHYDROGEN PHOSPHATE	A,B,C,D	1WOA	0.74
DPJ	O,O-DIETHYL HYDROGEN THIOPHOSPHATE	A	2R1P	0.73
DPJ	O,O-DIETHYL HYDROGEN THIOPHOSPHATE	A	2R1L	0.73
DPJ	O,O-DIETHYL HYDROGEN THIOPHOSPHATE	A	3C86	0.73
FCN	FOSFOMYCIN	A	3D41	0.73
FCN	FOSFOMYCIN	A,B	1LQP	0.73
FCN	FOSFOMYCIN	A,B	2BNN	0.73
FCN	FOSFOMYCIN	A	1UAE	0.73
1GP	SN-GLYCEROL-1-PHOSPHATE	A,B	2F6X	0.74
1GP	SN-GLYCEROL-1-PHOSPHATE	A,B,C,D	2VYV	0.74
DII	METHYLPHOSPHONIC ACID DIISOPROPYL ESTER	A,B	1P6C	0.85
DII	METHYLPHOSPHONIC ACID DIISOPROPYL ESTER	A,B	1EZ2	0.85
GG6	[(1S,2S)-1,2-DIHYDROXYPROPYL]PHOSPHONIC ACID	A,B,C,D,E,F	2P7Q	0.72
GG6	[(1S,2S)-1,2-DIHYDROXYPROPYL]PHOSPHONIC ACID	A	2RL2	0.72
PED	PENTANE-3,4-DIOL-5-PHOSPHATE	A,E	1LWW	0.74
PED	PENTANE-3,4-DIOL-5-PHOSPHATE	A,C	1ORN	0.74
PED	PENTANE-3,4-DIOL-5-PHOSPHATE	A,C	1ORP	0.74
PED	PENTANE-3,4-DIOL-5-PHOSPHATE	A,B,C,D,E,F	2FCC	0.74
PED	PENTANE-3,4-DIOL-5-PHOSPHATE	A,E	1LWV	0.74
PED	PENTANE-3,4-DIOL-5-PHOSPHATE	A,C	2EA0	0.74
PED	PENTANE-3,4-DIOL-5-PHOSPHATE	A,E	1HU0	0.74
PED	PENTANE-3,4-DIOL-5-PHOSPHATE	A,B,C,D,I,J, K,L	1K82	0.74
PED	PENTANE-3,4-DIOL-5-PHOSPHATE	A,C	1L1Z	0.74
PED	PENTANE-3,4-DIOL-5-PHOSPHATE	E	1LWY	0.74
PED	PENTANE-3,4-DIOL-5-PHOSPHATE	A,B,D,F	2OQ4	0.74
PED	PENTANE-3,4-DIOL-5-PHOSPHATE	A,B,C	1K3X	0.74
PED	PENTANE-3,4-DIOL-5-PHOSPHATE	A,C	1K3W	0.74
PED	PENTANE-3,4-DIOL-5-PHOSPHATE	A,C	2OPF	0.74
P1P	3-{[OXIDO(OXO)PHOSPHINO]OXY}PROPAN- 1-OLATE	A,B,D	2D2L	0.73