MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03076951

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
DB1	2,3-DIHYDROXYBENZAMIDE	A,B,C	1X71	0.73
MNX	1,8-DI-HYDROXY-4-NITRO-XANTHEN- 9-ONE	A	1M2Q	0.74
GRE	2,6-DIHYDROXYBENZOIC ACID	A,B,C,D	2DVU	0.74
TYQ	3-AMINO-6-HYDROXY-TYROSINE	A,B	1D6Y	0.77
TYQ	3-AMINO-6-HYDROXY-TYROSINE	A,B	1D6U	0.77
U14	3-(5-AMINO-3-IMINO-3H-PYRAZOL-4- YLAZO)-BENZOIC ACID	A	2GG7	0.76
LI7	(3E)-3-[(4-HYDROXYPHENYL)IMINO]- 1H-INDOL-2(3H)-ONE	A	1YXX	0.7
OFL	O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID	A	1DVZ	0.72
MOB		A,B	1SRH	0.77
MTB		A,B	1SRF	0.86
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOD	0.73
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOE	0.73
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1PBB	0.73
SHA	SALICYLHYDROXAMIC ACID	X	1V0H	0.75
SHA	SALICYLHYDROXAMIC ACID	A	2QPK	0.75
SHA	SALICYLHYDROXAMIC ACID	A	3FNL	0.75
SHA	SALICYLHYDROXAMIC ACID	A	3GCJ	0.75
SHA	SALICYLHYDROXAMIC ACID	A	1CK6	0.75
NIY	META-NITRO-TYROSINE	A	2ADP	0.73
NIY	META-NITRO-TYROSINE	A	3DIV	0.73
NIY	META-NITRO-TYROSINE	A	2H5U	0.73
NIY	META-NITRO-TYROSINE	A	1K4Q	0.73
NIY	META-NITRO-TYROSINE	B,G,O,Y	1SDA	0.73
MHB		A,B	1SRG	0.9
A41	5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID	A	1YW7	0.71
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A,B	3B56	0.72
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A	2BXL	0.72
135	N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY- BENZAMIDE	B	1GJA	0.77
FHI		A,B	1Y1D	0.71
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBC	0.84
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBF	0.84
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1SXK	0.84
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.7
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.7
MRE	2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID	A,B	2V9C	0.75
4A3	4-AMINO-3-HYDROXYBENZOIC ACID	A,B	2HDR	0.77
IDB	3-[5-[(3-CARBOXY-2,4,6-TRIIODO- PHENYL)CARBAMOYL]PENTANOYLAMINO]- 2,4,6-TRIIODO-BENZOIC ACID	A	2BXN	0.72
ST2	4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACID	A,B	1IVC	0.71
BJH	1(R)-1-ACETAMIDO-2-(3-CARBOXY-2- HYDROXYPHENYL)ETHYL BORONIC ACID	A	1ERQ	0.72
EAB	(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3T	0.72
HBD	4-HYDROXYBENZAMIDE	B,C,D	1BEN	0.71
GHP	4-HYDROXYPHENYLGLYCINE	A	1DSR	0.7
NPA	2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID	H	1NGP	0.74
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.71
968	2-[(7-HYDROXY-NAPHTHALEN-1-YL)- OXALYL-AMINO]-BENZOIC ACID	A	1ONZ	0.72
R2C	5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID	A	2PRL	0.7
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	2BXE	0.74
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	3D2T	0.74
GAB	3-AMINOBENZOIC ACID	A,B,C,D,E,F	2PQF	0.8
GAB	3-AMINOBENZOIC ACID	A,B	3GSB	0.8
GAB	3-AMINOBENZOIC ACID	A,B,C	1GBN	0.8
GAB	3-AMINOBENZOIC ACID	A	3FHB	0.8
2TY	2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}- L-TYROSINE	A,B	2CWV	0.74
D3P	(2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.7
D3P	(2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.7
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3S	0.72
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B,C,D	2H4B	0.72
4NB	4-NITROBENZOIC ACID	A,B	3CHT	0.73
PAB	4-AMINOBENZOIC ACID	A	1PBD	0.75
PAB	4-AMINOBENZOIC ACID	B	2DZA	0.75
PAB	4-AMINOBENZOIC ACID	A	1IUS	0.75
PAB	4-AMINOBENZOIC ACID	A	1IUU	0.75
PAB	4-AMINOBENZOIC ACID	A	1IUT	0.75
TY2	3-AMINO-L-TYROSINE	A,B	2VH3	0.76
LJ5	N-(3,5-dibromo-4-hydroxyphenyl)benzamide	A,B	3CN4	0.73
HAB		A,B	1SRE	0.9
P2C	2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACID	A,B	1U21	0.72
BPD	N-(M-TRIFLUOROMETHYLPHENYL) PHENOXAZINE- 4,6-DICARBOXYLIC ACID	A	1DVY	0.74
DMB		A,B	1SRI	0.88
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.73
ST3	4-(ACETYLAMINO)-3-AMINO BENZOIC ACID	A,B	1IVE	0.7
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
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A	1DSR	0.7
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.7
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.7
HNA	1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE	A	1M2P	0.78
MNY	5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONE	A	1M2R	0.77
3HA	3-HYDROXYANTHRANILIC ACID	A,B	1U1W	0.76
3HA	3-HYDROXYANTHRANILIC ACID	A	1YFY	0.76
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5A	0.73
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5C	0.73
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A,B	2VJ1	0.72
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A	2V6N	0.72
YOL	[[2,2'-[4-CARBOXY-1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2- )-N,N',O,O']-IRON	A,B	1WZF	0.72
3B4	2-(cyclohexylamino)benzoic acid	A,B	3B4P	0.7
NAB		A,B	1SRJ	0.83
DMC	3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)- 2-METHYL-PROPIONIC ACID	G	4GCH	0.72
AZY	3-AZIDO-L-TYROSINE	A	2YXN	0.77
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A,B	1BM7	0.72
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	1S2C	0.72
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	2PIX	0.72
FDI	4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID	A	1B9S	0.7
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.78
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3CMP	0.72
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MD9	0.72
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MDB	0.72
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	1L6M	0.72
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3BY0	0.72
4MB	4-[(METHYLSULFONYL)AMINO]BENZOIC ACID	A,B	2HDS	0.73
BE2	2-AMINOBENZOIC ACID	A,B,C,D,E,F, G,H	1F8S	0.75
BE2	2-AMINOBENZOIC ACID	E,I	1ZFP	0.75
BE2	2-AMINOBENZOIC ACID	A,B	2HU8	0.75
BE2	2-AMINOBENZOIC ACID	A,B	1AN9	0.75
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2GVQ	0.75
BE2	2-AMINOBENZOIC ACID	A,B	2YR6	0.75
BE2	2-AMINOBENZOIC ACID	A,I	1E8N	0.75
BE2	2-AMINOBENZOIC ACID	A,B,C,D	1ZYK	0.75
BE2	2-AMINOBENZOIC ACID	A	1C0I	0.75
BE2	2-AMINOBENZOIC ACID	A,B	2JB3	0.75
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2E4A	0.75
G50	3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE	A,B	2UXI	0.72