MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02552664

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
PCQ	3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL	A,B	1G3M	0.74
PCQ	3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL	A,B	2G5U	0.74
NP4	(5Z)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE	A	2IWS	0.75
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.72
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.72
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
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3C3U	0.85
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3CV7	0.85
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.7
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	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	0.75
HBA	P-HYDROXYBENZALDEHYDE	A	1K03	0.77
HBA	P-HYDROXYBENZALDEHYDE	A,B	2VQ5	0.77
HBA	P-HYDROXYBENZALDEHYDE	A,B	1EB9	0.77
HBA	P-HYDROXYBENZALDEHYDE	A	2GQ9	0.77
HBA	P-HYDROXYBENZALDEHYDE	A,B	1Z42	0.77
HBA	P-HYDROXYBENZALDEHYDE	A	1OYB	0.77
174	4-CHLORO-BENZOIC ACID	X	3DLP	0.74
174	4-CHLORO-BENZOIC ACID	X	1T5D	0.74
34C	(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID	A,B	1HT8	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1CJ4	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1DOB	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1PXB	0.71
PHB	P-HYDROXYBENZOIC ACID	A,B	1G1B	0.71
PHB	P-HYDROXYBENZOIC ACID	A,B	1YKJ	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1IUV	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1PBE	0.71
PHB	P-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCC	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1PDH	0.71
PHB	P-HYDROXYBENZOIC ACID	B	2BUW	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1CC4	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1CC6	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1IUW	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1FW9	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1G81	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1BGJ	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1IUX	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1CJ3	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1D7L	0.71
PHB	P-HYDROXYBENZOIC ACID	A	2PHH	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1BGN	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1PXA	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1DOC	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1K0I	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1BKW	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1JD3	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1PXC	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1TT8	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1CJ2	0.71
PHB	P-HYDROXYBENZOIC ACID	A,B	1Q4S	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1BF3	0.71
PHB	P-HYDROXYBENZOIC ACID	B	2BUR	0.71
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOD	0.72
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOE	0.72
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1PBB	0.72
CHB	3-CHLORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCH	0.82
L1O	4-(2-aminoethoxy)-3,5-dichlorobenzoic acid	A	2VIO	0.7
299	2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4E	0.79
RDC	RADICICOL	A,B	2Q8I	0.74
RDC	RADICICOL	A,B	1U0Z	0.74
RDC	RADICICOL	A	1BGQ	0.74
RDC	RADICICOL	B,D,F,H	2ZBK	0.74
RDC	RADICICOL	A	2HKJ	0.74
RDC	RADICICOL	A,B,C	3CGY	0.74
RDC	RADICICOL	A,B	2WER	0.74
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.75
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.75
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.75
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.75
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.75
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.75
PSN	BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4K	0.73
3BZ	3-chlorobenzoate	X	2QVZ	0.75
3BZ	3-chlorobenzoate	X	2QVX	0.75
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A,B	3B56	0.74
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A	2BXL	0.74
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
262	2-FORMYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4D	0.74
CHP	3-CHLORO-4-HYDROXYPHENYLGLYCINE	A	1DSR	0.71
NP5	(5E)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE	A	2IWU	0.75
FHI		A,B	1Y1D	0.72
3CA		A,B	2B77	0.81
G50	3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE	A,B	2UXI	0.73
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.7
NE1	2',3,3',4',5-PENTACHLOROBIPHENYL- 4-OL	A,B	2G9K	0.7
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.73
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5A	0.72
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5C	0.72
NE2	3,3',4',5-TETRACHLOROBIPHENYL-4- OL	A,B	2GAB	0.71
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	0.76
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.76
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5U	0.82
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	3E6B	0.82
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5X	0.82
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	2H6B	0.82
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	C	3E6C	0.82
AFI	2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]- 3,4-DIHYDROXY-1(2H)-NAPHTHALENONE	A,B	1UUM	0.72
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RH4	0.7
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	3CSD	0.7
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHR	0.7
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	1F0Q	0.7
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3C13	0.7
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHC	0.7
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3BQC	0.7
JUG	5-hydroxynaphthalene-1,4-dione	A,B,C,D,E,F	3B7J	0.73
M1S	(5E)-14-CHLORO-15,17-DIHYDROXY- 4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE- 1,12(3H,13H)-DIONE	A	2IWX	0.75
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	0.7
34Z	3,4-dichlorobenzoate	X	2QVY	0.72
34Z	3,4-dichlorobenzoate	X	2QW0	0.72
IH5	[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID	A	1NAV	0.7
IH5	[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID	A	1NAX	0.7
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.75
219	CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4I	0.73
GRE	2,6-DIHYDROXYBENZOIC ACID	A,B,C,D	2DVU	0.71
23A	2,3-DIHYDROXYBENZALDEHYDE	A,B,C,D	2DVX	0.76