MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02552660

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
174	4-CHLORO-BENZOIC ACID	X	3DLP	0.72
174	4-CHLORO-BENZOIC ACID	X	1T5D	0.72
ADL	(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID	A,B	1N5S	0.73
OAL	(1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID	B	1N5T	0.73
PSN	BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4K	0.72
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5A	0.76
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5C	0.76
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.73
AC6	P-HYDROXYACETOPHENONE	X	2O48	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	0.76
FLV	FLAVIOLIN	A	1ZDW	0.71
FLV	FLAVIOLIN	A	1T93	0.71
FLV	FLAVIOLIN	A	2D09	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
219	CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4I	0.71
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5U	0.74
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	3E6B	0.74
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5X	0.74
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	2H6B	0.74
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	C	3E6C	0.74
23A	2,3-DIHYDROXYBENZALDEHYDE	A,B,C,D	2DVX	0.77
NP5	(5E)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE	A	2IWU	0.76
HBA	P-HYDROXYBENZALDEHYDE	A	1K03	0.73
HBA	P-HYDROXYBENZALDEHYDE	A,B	2VQ5	0.73
HBA	P-HYDROXYBENZALDEHYDE	A,B	1EB9	0.73
HBA	P-HYDROXYBENZALDEHYDE	A	2GQ9	0.73
HBA	P-HYDROXYBENZALDEHYDE	A,B	1Z42	0.73
HBA	P-HYDROXYBENZALDEHYDE	A	1OYB	0.73
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
BP3	2'-CHLORO-BIPHENYL-2,3-DIOL	A	1LGT	0.72
43M	4-CHLORO-3-METHYLPHENOL	A	2P7A	0.72
3BZ	3-chlorobenzoate	X	2QVZ	0.73
3BZ	3-chlorobenzoate	X	2QVX	0.73
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
299	2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4E	0.76
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.73
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.73
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.73
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.73
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.73
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.73
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.73
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.73
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.73
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.73
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.73
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.73
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.73
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.73
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.73
AFI	2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]- 3,4-DIHYDROXY-1(2H)-NAPHTHALENONE	A,B	1UUM	0.74
FE3	4-(2-aminoethyl)-3-chlorobenzoic acid	A,B	2K1Q	0.72
FHI		A,B	1Y1D	0.72
789	3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE	A,B	1ZAF	0.7
BP6	2',6'-DICHLORO-BIPHENYL-2,6-DIOL	A	1LKD	0.71
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.72
AKV	{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE	A,B,C,D	2F99	0.71
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.71
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.71
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3C3U	0.8
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3CV7	0.8
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RH4	0.74
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	3CSD	0.74
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHR	0.74
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	1F0Q	0.74
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3C13	0.74
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHC	0.74
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3BQC	0.74
JUG	5-hydroxynaphthalene-1,4-dione	A,B,C,D,E,F	3B7J	0.77
NP4	(5Z)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE	A	2IWS	0.76
262	2-FORMYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4D	0.72
G50	3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE	A,B	2UXI	0.7
CHB	3-CHLORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCH	0.74
SDN	[(3S)-9-hydroxy-1-methyl-10-oxo- 4,10-dihydro-3H-benzo[g]isochromen- 3-yl]acetic acid	A,B	3B6C	0.72
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3CMP	0.7
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MD9	0.7
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MDB	0.7
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	1L6M	0.7
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3BY0	0.7
34Z	3,4-dichlorobenzoate	X	2QVY	0.7
34Z	3,4-dichlorobenzoate	X	2QW0	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	0.76
CPH	1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE	A,B	1D83	0.73
CPH	1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE	A,B	1EKH	0.73
CPH	1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE	A,B	1EKI	0.73
CPH	1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE	A,B,C,D	1VAQ	0.73
3CA		A,B	2B77	0.82
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.7