MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02392904

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
4A3	4-AMINO-3-HYDROXYBENZOIC ACID	A,B	2HDR	0.74
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5A	0.76
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5C	0.76
U14	3-(5-AMINO-3-IMINO-3H-PYRAZOL-4- YLAZO)-BENZOIC ACID	A	2GG7	0.71
MNX	1,8-DI-HYDROXY-4-NITRO-XANTHEN- 9-ONE	A	1M2Q	0.73
MNY	5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONE	A	1M2R	0.79
FLG	FLUORESCEINYLTHIOUREIDO	A,B	1OCB	0.71
NAB		A,B	1SRJ	0.86
A80	N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID	A	2CBR	0.71
135	N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY- BENZAMIDE	B	1GJA	0.73
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	2BXE	0.75
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	3D2T	0.75
G50	3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE	A,B	2UXI	0.71
MTB		A,B	1SRF	0.85
DMB		A,B	1SRI	0.84
IFB	N-[(2',4'-DIFLUORO-4-HYDROXY-5- IODOBIPHENYL-3-YL)CARBONYL]-BETA- ALANINE	A,B	3FCB	0.7
PAB	4-AMINOBENZOIC ACID	A	1PBD	0.71
PAB	4-AMINOBENZOIC ACID	B	2DZA	0.71
PAB	4-AMINOBENZOIC ACID	A	1IUS	0.71
PAB	4-AMINOBENZOIC ACID	A	1IUU	0.71
PAB	4-AMINOBENZOIC ACID	A	1IUT	0.71
TYQ	3-AMINO-6-HYDROXY-TYROSINE	A,B	1D6Y	0.74
TYQ	3-AMINO-6-HYDROXY-TYROSINE	A,B	1D6U	0.74
2TY	2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}- L-TYROSINE	A,B	2CWV	0.73
ADL	(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID	A,B	1N5S	0.72
OAL	(1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID	B	1N5T	0.72
A75	2-[(PHENYLSULFONYL)AMINO]-5,6,7,8- TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID	A	1YW8	0.7
HNA	1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE	A	1M2P	0.8
421	6-CARBAMIMIDOYL-4-(3-HYDROXY-2- METHYL-BENZOYLAMINO)-NAPHTHALENE- 2-CARBOXYLIC ACID METHYL ESTER	A	1ZSK	0.73
BJH	1(R)-1-ACETAMIDO-2-(3-CARBOXY-2- HYDROXYPHENYL)ETHYL BORONIC ACID	A	1ERQ	0.7
NIY	META-NITRO-TYROSINE	A	2ADP	0.7
NIY	META-NITRO-TYROSINE	A	3DIV	0.7
NIY	META-NITRO-TYROSINE	A	2H5U	0.7
NIY	META-NITRO-TYROSINE	A	1K4Q	0.7
NIY	META-NITRO-TYROSINE	B,G,O,Y	1SDA	0.7
MOB		A,B	1SRH	0.73
TY2	3-AMINO-L-TYROSINE	A,B	2VH3	0.74
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.71
3HA	3-HYDROXYANTHRANILIC ACID	A,B	1U1W	0.72
3HA	3-HYDROXYANTHRANILIC ACID	A	1YFY	0.72
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.73
FHI		A,B	1Y1D	0.72
MHB		A,B	1SRG	0.84
3CA		A,B	2B77	0.71
AZY	3-AZIDO-L-TYROSINE	A	2YXN	0.74
NPA	2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID	H	1NGP	0.71
BPD	N-(M-TRIFLUOROMETHYLPHENYL) PHENOXAZINE- 4,6-DICARBOXYLIC ACID	A	1DVY	0.74
YOL	[[2,2'-[4-CARBOXY-1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2- )-N,N',O,O']-IRON	A,B	1WZF	0.73
LZQ	4-[3-(dibenzylamino)phenyl]-2,4- dioxobutanoic acid	A	3EB1	0.7
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
RHO	TETRAMETHYLRHODAMINE-5-MALEIMIDE	A	1J6Z	0.71
RHO	TETRAMETHYLRHODAMINE-5-MALEIMIDE	A	1NWK	0.71
HAB		A,B	1SRE	0.83
44C		A	2FBR	0.73
709	N-(7-CARBAMIMIDOYL-NAPHTHALEN-1- YL)-3-HYDROXY-2-METHYL-BENZAMIDE	A	1ZSJ	0.72
201	3-AMIDO-5-BIPHENYL-BENZOIC ACID	A	2B0M	0.71
968	2-[(7-HYDROXY-NAPHTHALEN-1-YL)- OXALYL-AMINO]-BENZOIC ACID	A	1ONZ	0.76
GAB	3-AMINOBENZOIC ACID	A,B,C,D,E,F	2PQF	0.74
GAB	3-AMINOBENZOIC ACID	A,B	3GSB	0.74
GAB	3-AMINOBENZOIC ACID	A,B,C	1GBN	0.74
GAB	3-AMINOBENZOIC ACID	A	3FHB	0.74
MIX	1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)- 9,10-ANTHRACENEDIONE	A,B,C,D	2FUM	0.7
MR2	3-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN- 1-ONE	A	1TSM	0.74
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBC	0.79
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBF	0.79
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1SXK	0.79
6CA		A	2FLM	0.73
MRE	2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID	A,B	2V9C	0.71
R2C	5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID	A	2PRL	0.71
C00	2-(4-hydroxybiphenyl-3-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione	A	3BYX	0.75
C00	2-(4-hydroxybiphenyl-3-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione	A	3BZ0	0.75
CYF	5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)- ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A- DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID	L,P	1MPA	0.7
CYF	5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)- ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A- DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID	L,P	2MPA	0.7
CYF	5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)- ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A- DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID	I,L	1DZH	0.7