MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03384979

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
2PB	2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE	A	1SDE	0.72
TY2	3-AMINO-L-TYROSINE	A,B	2VH3	0.78
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.72
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.72
KY1	4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID	A,B,C,D	2CH2	0.71
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
BE2	2-AMINOBENZOIC ACID	A,B,C,D,E,F, G,H	1F8S	0.79
BE2	2-AMINOBENZOIC ACID	E,I	1ZFP	0.79
BE2	2-AMINOBENZOIC ACID	A,B	2HU8	0.79
BE2	2-AMINOBENZOIC ACID	A,B	1AN9	0.79
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2GVQ	0.79
BE2	2-AMINOBENZOIC ACID	A,B	2YR6	0.79
BE2	2-AMINOBENZOIC ACID	A,I	1E8N	0.79
BE2	2-AMINOBENZOIC ACID	A,B,C,D	1ZYK	0.79
BE2	2-AMINOBENZOIC ACID	A	1C0I	0.79
BE2	2-AMINOBENZOIC ACID	A,B	2JB3	0.79
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2E4A	0.79
ST3	4-(ACETYLAMINO)-3-AMINO BENZOIC ACID	A,B	1IVE	0.71
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	2BXE	0.72
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	3D2T	0.72
4AA	4-CHLORO-3-HYDROXYANTHRANILIC ACID	A	1YFW	0.71
4AA	4-CHLORO-3-HYDROXYANTHRANILIC ACID	A	1YFX	0.71
MNX	1,8-DI-HYDROXY-4-NITRO-XANTHEN- 9-ONE	A	1M2Q	0.72
MRE	2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID	A,B	2V9C	0.72
NIY	META-NITRO-TYROSINE	A	2ADP	0.72
NIY	META-NITRO-TYROSINE	A	3DIV	0.72
NIY	META-NITRO-TYROSINE	A	2H5U	0.72
NIY	META-NITRO-TYROSINE	A	1K4Q	0.72
NIY	META-NITRO-TYROSINE	B,G,O,Y	1SDA	0.72
ST2	4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACID	A,B	1IVC	0.71
GRE	2,6-DIHYDROXYBENZOIC ACID	A,B,C,D	2DVU	0.77
BJH	1(R)-1-ACETAMIDO-2-(3-CARBOXY-2- HYDROXYPHENYL)ETHYL BORONIC ACID	A	1ERQ	0.72
HAB		A,B	1SRE	0.86
2AC	2-AMINO-P-CRESOL	H,I	1A2C	0.71
2AC	2-AMINO-P-CRESOL	A	1L4M	0.71
NPA	2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID	H	1NGP	0.75
BPD	N-(M-TRIFLUOROMETHYLPHENYL) PHENOXAZINE- 4,6-DICARBOXYLIC ACID	A	1DVY	0.71
135	N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY- BENZAMIDE	B	1GJA	0.75
GHP	4-HYDROXYPHENYLGLYCINE	A	1DSR	0.72
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
PAB	4-AMINOBENZOIC ACID	A	1PBD	0.79
PAB	4-AMINOBENZOIC ACID	B	2DZA	0.79
PAB	4-AMINOBENZOIC ACID	A	1IUS	0.79
PAB	4-AMINOBENZOIC ACID	A	1IUU	0.79
PAB	4-AMINOBENZOIC ACID	A	1IUT	0.79
DMB		A,B	1SRI	0.85
MHB		A,B	1SRG	0.87
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.73
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.73
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.79
MOB		A,B	1SRH	0.73
2TY	2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}- L-TYROSINE	A,B	2CWV	0.71
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A	1DSR	0.72
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.72
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.72
34D	3,5-DIHYDROXYBENZOATE	A,B	2BX7	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1CJ4	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1DOB	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1PXB	0.73
PHB	P-HYDROXYBENZOIC ACID	A,B	1G1B	0.73
PHB	P-HYDROXYBENZOIC ACID	A,B	1YKJ	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1IUV	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1PBE	0.73
PHB	P-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCC	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1PDH	0.73
PHB	P-HYDROXYBENZOIC ACID	B	2BUW	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1CC4	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1CC6	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1IUW	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1FW9	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1G81	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1BGJ	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1IUX	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1CJ3	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1D7L	0.73
PHB	P-HYDROXYBENZOIC ACID	A	2PHH	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1BGN	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1PXA	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1DOC	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1K0I	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1BKW	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1JD3	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1PXC	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1TT8	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1CJ2	0.73
PHB	P-HYDROXYBENZOIC ACID	A,B	1Q4S	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1BF3	0.73
PHB	P-HYDROXYBENZOIC ACID	B	2BUR	0.73
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A,B	3B56	0.76
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A	2BXL	0.76
3HA	3-HYDROXYANTHRANILIC ACID	A,B	1U1W	0.8
3HA	3-HYDROXYANTHRANILIC ACID	A	1YFY	0.8
FHB	3-FLUORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCF	0.71
SX1	2-amino-5-bromobenzoic acid	A,B	3CIZ	0.73
4NB	4-NITROBENZOIC ACID	A,B	3CHT	0.75
HBD	4-HYDROXYBENZAMIDE	B,C,D	1BEN	0.75
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A,B	2VJ1	0.73
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A	2V6N	0.73
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3CMP	0.74
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MD9	0.74
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MDB	0.74
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	1L6M	0.74
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3BY0	0.74
FHI		A,B	1Y1D	0.7
DMC	3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)- 2-METHYL-PROPIONIC ACID	G	4GCH	0.73
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	1F42	0.71
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	1RXE	0.71
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	2PER	0.71
SHA	SALICYLHYDROXAMIC ACID	X	1V0H	0.79
SHA	SALICYLHYDROXAMIC ACID	A	2QPK	0.79
SHA	SALICYLHYDROXAMIC ACID	A	3FNL	0.79
SHA	SALICYLHYDROXAMIC ACID	A	3GCJ	0.79
SHA	SALICYLHYDROXAMIC ACID	A	1CK6	0.79
TYZ	PARA ACETAMIDO BENZOIC ACID	B,C	2BNI	0.71
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5K	0.71
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5J	0.71
AZY	3-AZIDO-L-TYROSINE	A	2YXN	0.77
GAB	3-AMINOBENZOIC ACID	A,B,C,D,E,F	2PQF	0.84
GAB	3-AMINOBENZOIC ACID	A,B	3GSB	0.84
GAB	3-AMINOBENZOIC ACID	A,B,C	1GBN	0.84
GAB	3-AMINOBENZOIC ACID	A	3FHB	0.84
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBC	0.88
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBF	0.88
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1SXK	0.88
LJ5	N-(3,5-dibromo-4-hydroxyphenyl)benzamide	A,B	3CN4	0.7
DB1	2,3-DIHYDROXYBENZAMIDE	A,B,C	1X71	0.76
NAB		A,B	1SRJ	0.8
4A3	4-AMINO-3-HYDROXYBENZOIC ACID	A,B	2HDR	0.81
MTB		A,B	1SRF	0.82
4MB	4-[(METHYLSULFONYL)AMINO]BENZOIC ACID	A,B	2HDS	0.73
4NL	4-AMINOPHENOL	A	2ORL	0.71
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOD	0.76
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOE	0.76
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1PBB	0.76
IHB	3-IODO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCI	0.71
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.8
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.8
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.8
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.8
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.8
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.8
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.8
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.8
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.8
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.8
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.8
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.8
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.8
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.8
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.8
MNY	5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONE	A	1M2R	0.74
HNA	1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE	A	1M2P	0.75