MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00022073

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
PEY	PHENANTHRENE	A,B	2HML	0.82
PEY	PHENANTHRENE	A,B	2HMK	0.82
NPY	NAPHTHALENE	A,B	1O7G	0.84
B28		A,B	2E9A	0.75
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1DPM	0.74
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6B	0.74
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1PSC	0.74
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	3E3H	0.74
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1QW7	0.74
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6C	0.74
OXE	ORTHO-XYLENE	A,B	3E0X	0.73
OXE	ORTHO-XYLENE	A	188L	0.73
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.7
BIH	NAPHTHALENE-2,6-DISULFONIC ACID	A	1U4S	0.71
I59	HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID	A	1O4G	0.8
AN3	ANTHRACENE	A,B	2HMN	0.82
AN3	ANTHRACENE	A,B	2HMM	0.82
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.76
FEP	[(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)- PHENYL]-BUTYL}-PHENYL)-DIFLUORO- METHYL]-PHOSPHONIC ACID	A	1KAV	0.79
NAS	2-NAPHTHALENESULFONIC ACID	I	1QUR	0.73
NAS	2-NAPHTHALENESULFONIC ACID	E,I	1PPC	0.73
NAS	2-NAPHTHALENESULFONIC ACID	H	1ETS	0.73
PYL	PHENYLETHANE	C	1B07	0.71
PYL	PHENYLETHANE	A,B	2VRM	0.71
PYL	PHENYLETHANE	A	1NHB	0.71
N4B	N-BUTYLBENZENE	A	186L	0.71
2HS	HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS2	0.74
2HR	HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS1	0.74
B69		A	2ZCR	0.75
I4B	ISOBUTYLBENZENE	A	184L	0.71
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	A	1OS0	0.73
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	E,I	4TMN	0.73
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	S	1CGH	0.73
B08		A,B	2E99	0.76
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.74
KTP	(2-NAPHTHALEN-2-YL-1-NAPHTHALEN- 1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID	A,B	1KYN	0.75
DEN	INDENE	A	183L	0.71
FNP	{[7-(DIFLUORO-PHOSPHONO-METHYL)- NAPHTHALEN-2-YL]-DIFLUORO-METHYL}- PHOSPHONIC ACID	A	1KAK	0.89
FPR	PROPYLBENZENE	C	1RHK	0.71
B70	tripotassium (1R)-4-biphenyl-4- yl-1-phosphonatobutane-1-sulfonate	A	2ZCS	0.76
PMI	(2-AMINO-2,3-DIHYDRO-1H-INDEN-2- YL)PHOSPHONIC ACID	A,B,C,D,E,F, G,H	2O7E	0.73
BPS		A,B	2DE4	0.7
787	(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACID	A	1O4R	0.8
BDB		A,B	1KE3	0.81