MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02178013

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
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.71
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.71
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.71
NGV	METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE	A,B,C,D	2F98	0.72
NGV	METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE	A	1SJW	0.72
ANF	ANTHRONE	H	2BJM	0.7
34D	3,5-DIHYDROXYBENZOATE	A,B	2BX7	0.7
3HP	3-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCE	0.71
A15	3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN- 1-ONE	A	1TSL	0.7
4HP	4-HYDROXYPHENYLACETATE	A,B,C,D	2JBT	0.72
4HP	4-HYDROXYPHENYLACETATE	A	2YYJ	0.72
4HP	4-HYDROXYPHENYLACETATE	A	2YYM	0.72
4HP	4-HYDROXYPHENYLACETATE	B	1AI6	0.72
4HP	4-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCG	0.72
AKV	{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE	A,B,C,D	2F99	0.72
4FC		A	1YSG	0.71
DHB	3,4-DIHYDROXYBENZOIC ACID	B	2BV0	0.7
DHB	3,4-DIHYDROXYBENZOIC ACID	A,B,D,F,H,J,L	1YKP	0.7
DHB	3,4-DIHYDROXYBENZOIC ACID	A	1N8Q	0.7
DHB	3,4-DIHYDROXYBENZOIC ACID	A,B	2BSL	0.7
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D,F,H,J,L	1YKL	0.7
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D	1B4U	0.7
DHB	3,4-DIHYDROXYBENZOIC ACID	A	3DX5	0.7
DHB	3,4-DIHYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCA	0.7
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D,F,H,J,L	1YKN	0.7
DHB	3,4-DIHYDROXYBENZOIC ACID	B	1EOB	0.7
DHB	3,4-DIHYDROXYBENZOIC ACID	A	1PHH	0.7
DHB	3,4-DIHYDROXYBENZOIC ACID	B	2BUV	0.7
EQU	EQUILENIN	A,B	1OGX	0.73
EQU	EQUILENIN	A,B,C,D,E,F	1QJG	0.73
EQU	EQUILENIN	A,B	1OH0	0.73
EQU	EQUILENIN	A	1W6Y	0.73
EQU	EQUILENIN	A,B	1CQS	0.73
EQU	EQUILENIN	A	1OGZ	0.73
EQU	EQUILENIN	A	1GS3	0.73
EQU	EQUILENIN	A	1OHO	0.73
TTB	4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID	A	1XAP	0.74
3TN	(2E)-3-[4-HYDROXY-3-(3-METHOXY- 5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-YL)PHENYL]ACRYLIC ACID	A	2P1T	0.7
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5A	0.8
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5C	0.8
PIC	6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE- 2-CARBOXYLIC ACID	A	1BZJ	0.71
156	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID	A	1FCZ	0.74
ADL	(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID	A,B	1N5S	0.78
OAL	(1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID	B	1N5T	0.78
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	2BXE	0.73
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	3D2T	0.73
SDN	[(3S)-9-hydroxy-1-methyl-10-oxo- 4,10-dihydro-3H-benzo[g]isochromen- 3-yl]acetic acid	A,B	3B6C	0.71
184	6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FCX	0.74
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.73
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.73
886	N-({4'-[(4-isobutyrylphenoxy)methyl]biphenyl- 4-yl}sulfonyl)-D-valine	A,B,C,D	2RJP	0.71
OBP		A,B	2DE3	0.72
DIN	1,6-DIHYDROXY NAPHTHALENE	A	1ZB6	0.71
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	H,I	1A2C	0.71
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C	1CA7	0.71
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C,D	3GGO	0.71
FBC		A,B	2B9A	0.7
564	6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID	A	1FCY	0.76
FDS	FLUORESCIN	H	4FAB	0.72
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.77
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.77
2E3	(2E)-3-[4-hydroxy-3-(3,5,5,8,8- pentamethyl-5,6,7,8-tetrahydronaphthalen- 2-yl)phenyl]prop-2-enoic acid	A	3FUG	0.74
FHI		A,B	1Y1D	0.7
NPS	(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid	A	2VDB	0.73
BSP		A,B	19GS	0.73
789	3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE	A,B	1ZAF	0.72
NAB		A,B	1SRJ	0.71
JUG	5-hydroxynaphthalene-1,4-dione	A,B,C,D,E,F	3B7J	0.72
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B	2TPL	0.71
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B,C,D	3GGP	0.71
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.71
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.71
26C		A,B	2F7I	0.7
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.74
AZN	ALIZARIN RED	H,I,J,K,L,M, N,O	1OAR	0.8
MUF	(8alpha,10alpha,13alpha,17beta)- 17-[(4-hydroxyphenyl)carbonyl]androsta- 3,5-diene-3-carboxylic acid	A,B	3BEJ	0.72
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RH4	0.72
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	3CSD	0.72
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHR	0.72
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	1F0Q	0.72
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3C13	0.72
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHC	0.72
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3BQC	0.72
EMT	2-(ETHYLMERCURI-THIO)-BENZOIC ACID	A,B	1KDG	0.72
EMT	2-(ETHYLMERCURI-THIO)-BENZOIC ACID	A,B,C,D	1O9L	0.72
1NP	1-NAPHTHOL	X	2ZVQ	0.7
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	L	1FLR	0.7
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	A,B	1N0S	0.7
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	C,L	1T66	0.7
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	A	1X9Q	0.7
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	A,D	2NMV	0.7
159	2-HYDROXY-5-(2-MERCAPTO-ETHYLSULFAMOYL)- BENZOIC ACID	A,B	1NME	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1CJ4	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1DOB	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1PXB	0.72
PHB	P-HYDROXYBENZOIC ACID	A,B	1G1B	0.72
PHB	P-HYDROXYBENZOIC ACID	A,B	1YKJ	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1IUV	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1PBE	0.72
PHB	P-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCC	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1PDH	0.72
PHB	P-HYDROXYBENZOIC ACID	B	2BUW	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1CC4	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1CC6	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1IUW	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1FW9	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1G81	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1BGJ	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1IUX	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1CJ3	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1D7L	0.72
PHB	P-HYDROXYBENZOIC ACID	A	2PHH	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1BGN	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1PXA	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1DOC	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1K0I	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1BKW	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1JD3	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1PXC	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1TT8	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1CJ2	0.72
PHB	P-HYDROXYBENZOIC ACID	A,B	1Q4S	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1BF3	0.72
PHB	P-HYDROXYBENZOIC ACID	B	2BUR	0.72
LZ2	5-hydroxynaphthalene-1-sulfonamide	A	2VTH	0.77