MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02657806

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
RM2	4-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN	A,B	2C66	0.71
AEH	4-(2-aminoethyl)-2-ethylphenol	A	3BUG	0.74
NCR	2-NITRO-P-CRESOL	A,B	1AHV	0.76
NPO	P-NITROPHENOL	A,B	1Z44	0.74
NPO	P-NITROPHENOL	X	2ZYW	0.74
NPO	P-NITROPHENOL	H,L	1YEK	0.74
NPO	P-NITROPHENOL	A,C,E,G	43CA	0.74
NPO	P-NITROPHENOL	A	1LS6	0.74
NPO	P-NITROPHENOL	X	2ZVP	0.74
NPO	P-NITROPHENOL	A,B	2I10	0.74
NPO	P-NITROPHENOL	A	1VAH	0.74
NPO	P-NITROPHENOL	A,B	3ETT	0.74
NPO	P-NITROPHENOL	A,B	2D20	0.74
NPO	P-NITROPHENOL	X	2ZYV	0.74
A48	4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL	A,B	2Q6J	0.77
PFL	2,6-BIS(1-METHYLETHYL)PHENOL	A,B	1E7A	0.71
2AC	2-AMINO-P-CRESOL	H,I	1A2C	0.81
2AC	2-AMINO-P-CRESOL	A	1L4M	0.81
BRS	2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6- DINITRO-PHENOL	A,B,D,M,N,O,P	1KFY	0.71
AEG	4-[(2R)-2-aminopropyl]phenol	A	3BUF	0.71
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.73
NAF	M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE	A	1AMN	0.75
NAF	M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE	A,B	2H9Y	0.75
4NL	4-AMINOPHENOL	A	2ORL	0.78
TY2	3-AMINO-L-TYROSINE	A,B	2VH3	0.71
SOA	ISATOIC ANHYDRIDE	A	1BIO	0.74
MHB		A,B	1SRG	0.74
SAF	3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL	A	1GQR	0.75
SAF	3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL	A	1GQS	0.75
MTB		A,B	1SRF	0.71
DNT	2-[1-METHYLHEXYL]-4,6-DINITROPHENOL	A,B,C	1NEN	0.78
FEN	N-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDE	A	1FEL	0.73
DMB		A,B	1SRI	0.76
EDR	EDROPHONIUM ION	A	1AX9	0.71
EDR	EDROPHONIUM ION	A	2ACK	0.71
DMC	3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)- 2-METHYL-PROPIONIC ACID	G	4GCH	0.72
TYL	N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)	B,C,D	1TYM	0.73
TYL	N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)	B,C,D	1TYL	0.73
TYL	N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)	A	2OCU	0.73
TYL	N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)	A,B,C,D,F	3DJI	0.73
TYL	N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)	A	2DPZ	0.73
2LP	2-ALLYLPHENOL	A	1OV5	0.7
LJ1	2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol	A,B	3CN0	0.7
HAB		A,B	1SRE	0.71
AZY	3-AZIDO-L-TYROSINE	A	2YXN	0.7
CZM	'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)- BENZENE-1,2-DIAMINE'	A	1J3F	0.79
CZM	'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)- BENZENE-1,2-DIAMINE'	A	1UFJ	0.79
CZM	'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)- BENZENE-1,2-DIAMINE'	A	1V9Q	0.79
2AF	2-AMINOPHENOL	A	1L4N	0.73