MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03541938

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
OHP	(2-HYDROXYPHENYL)ACETIC ACID	A	2INZ	0.71
L1O	4-(2-aminoethoxy)-3,5-dichlorobenzoic acid	A	2VIO	0.73
IHB	3-IODO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCI	0.74
4NA	1-CHLORO-6-(4-HYDROXYPHENYL)-2- NAPHTHOL	A,B	1YY4	0.73
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5A	0.71
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5C	0.71
NP4	(5Z)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE	A	2IWS	0.73
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.72
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.72
3BZ	3-chlorobenzoate	X	2QVZ	0.77
3BZ	3-chlorobenzoate	X	2QVX	0.77
A15	3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN- 1-ONE	A	1TSL	0.77
CHB	3-CHLORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCH	0.87
HSI	(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID	A	2Z2D	0.71
4FC		A	1YSG	0.71
BP3	2'-CHLORO-BIPHENYL-2,3-DIOL	A	1LGT	0.73
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
P2N	(5Z)-13-CHLORO-14,16-DIHYDROXY- 3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE- 1,11(12H)-DIONE	A	2CGF	0.73
FE3	4-(2-aminoethyl)-3-chlorobenzoic acid	A,B	2K1Q	0.71
NE1	2',3,3',4',5-PENTACHLOROBIPHENYL- 4-OL	A,B	2G9K	0.79
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5U	0.84
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	3E6B	0.84
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5X	0.84
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	2H6B	0.84
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	C	3E6C	0.84
PHB	P-HYDROXYBENZOIC ACID	A	1CJ4	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1DOB	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1PXB	0.76
PHB	P-HYDROXYBENZOIC ACID	A,B	1G1B	0.76
PHB	P-HYDROXYBENZOIC ACID	A,B	1YKJ	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1IUV	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1PBE	0.76
PHB	P-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCC	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1PDH	0.76
PHB	P-HYDROXYBENZOIC ACID	B	2BUW	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1CC4	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1CC6	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1IUW	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1FW9	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1G81	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1BGJ	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1IUX	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1CJ3	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1D7L	0.76
PHB	P-HYDROXYBENZOIC ACID	A	2PHH	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1BGN	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1PXA	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1DOC	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1K0I	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1BKW	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1JD3	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1PXC	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1TT8	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1CJ2	0.76
PHB	P-HYDROXYBENZOIC ACID	A,B	1Q4S	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1BF3	0.76
PHB	P-HYDROXYBENZOIC ACID	B	2BUR	0.76
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RH4	0.71
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	3CSD	0.71
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHR	0.71
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	1F0Q	0.71
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3C13	0.71
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHC	0.71
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3BQC	0.71
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	H,I	1A2C	0.73
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C	1CA7	0.73
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C,D	3GGO	0.73
CHP	3-CHLORO-4-HYDROXYPHENYLGLYCINE	A	1DSR	0.73
4HP	4-HYDROXYPHENYLACETATE	A,B,C,D	2JBT	0.74
4HP	4-HYDROXYPHENYLACETATE	A	2YYJ	0.74
4HP	4-HYDROXYPHENYLACETATE	A	2YYM	0.74
4HP	4-HYDROXYPHENYLACETATE	B	1AI6	0.74
4HP	4-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCG	0.74
OAC	TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE	C	3GCH	0.72
BP6	2',6'-DICHLORO-BIPHENYL-2,6-DIOL	A	1LKD	0.75
MUF	(8alpha,10alpha,13alpha,17beta)- 17-[(4-hydroxyphenyl)carbonyl]androsta- 3,5-diene-3-carboxylic acid	A,B	3BEJ	0.71
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
BVL	(2E)-1-[2-hydroxy-4-methoxy-5-(3- methylbut-2-en-1-yl)phenyl]-3-(4- hydroxyphenyl)prop-2-en-1-one	A	2ZBH	0.71
CNT	N-METHYL-META-CHLORO-TYROSINE	C,D	1OKX	0.7
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.7
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.7
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.7
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.7
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.7
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B	2TPL	0.73
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B,C,D	3GGP	0.73
FHB	3-FLUORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCF	0.74
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.73
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.73
2CL	(2,6-DICHLOROPHENYL)ACETIC ACID	A	2IPW	0.71
2CL	(2,6-DICHLOROPHENYL)ACETIC ACID	A	2IS7	0.71
AFI	2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]- 3,4-DIHYDROXY-1(2H)-NAPHTHALENONE	A,B	1UUM	0.76
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.7
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.7
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.7
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3C3U	0.82
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3CV7	0.82
PCQ	3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL	A,B	1G3M	0.82
PCQ	3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL	A,B	2G5U	0.82
FHI		A,B	1Y1D	0.72
HBA	P-HYDROXYBENZALDEHYDE	A	1K03	0.76
HBA	P-HYDROXYBENZALDEHYDE	A,B	2VQ5	0.76
HBA	P-HYDROXYBENZALDEHYDE	A,B	1EB9	0.76
HBA	P-HYDROXYBENZALDEHYDE	A	2GQ9	0.76
HBA	P-HYDROXYBENZALDEHYDE	A,B	1Z42	0.76
HBA	P-HYDROXYBENZALDEHYDE	A	1OYB	0.76
34Z	3,4-dichlorobenzoate	X	2QVY	0.75
34Z	3,4-dichlorobenzoate	X	2QW0	0.75
FC2	5-(2,5-DICHLOROPHENYL)-2-FUROIC ACID	A	2EVM	0.71
NP5	(5E)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE	A	2IWU	0.73
FBC		A,B	2B9A	0.7
RDC	RADICICOL	A,B	2Q8I	0.71
RDC	RADICICOL	A,B	1U0Z	0.71
RDC	RADICICOL	A	1BGQ	0.71
RDC	RADICICOL	B,D,F,H	2ZBK	0.71
RDC	RADICICOL	A	2HKJ	0.71
RDC	RADICICOL	A,B,C	3CGY	0.71
RDC	RADICICOL	A,B	2WER	0.71
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.86
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
3HP	3-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCE	0.72
IH5	[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID	A	1NAV	0.75
IH5	[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID	A	1NAX	0.75
JUG	5-hydroxynaphthalene-1,4-dione	A,B,C,D,E,F	3B7J	0.72
174	4-CHLORO-BENZOIC ACID	X	3DLP	0.76
174	4-CHLORO-BENZOIC ACID	X	1T5D	0.76
34C	(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID	A,B	1HT8	0.74
A18	5-(2-CHLOROBENZYL)-2-FUROIC ACID	A	2Q96	0.72
M1S	(5E)-14-CHLORO-15,17-DIHYDROXY- 4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE- 1,12(3H,13H)-DIONE	A	2IWX	0.73
789	3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE	A,B	1ZAF	0.75
G50	3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE	A,B	2UXI	0.78
26C		A,B	2F7I	0.7
HBD	4-HYDROXYBENZAMIDE	B,C,D	1BEN	0.7
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.81
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.81
NE2	3,3',4',5-TETRACHLOROBIPHENYL-4- OL	A,B	2GAB	0.8
3CA		A,B	2B77	0.83
EAA	ETHACRYNIC ACID	A,B	3DGQ	0.72
EAA	ETHACRYNIC ACID	A,B	11GS	0.72
EAA	ETHACRYNIC ACID	A,B,C,D	1GSF	0.72
EAA	ETHACRYNIC ACID	A,B	2GSS	0.72
EAA	ETHACRYNIC ACID	A,B	3GSS	0.72
EAA	ETHACRYNIC ACID	A,B	1GSE	0.72
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOD	0.71
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOE	0.71
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1PBB	0.71
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.78