MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02880344

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
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B	2TPL	0.72
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B,C,D	3GGP	0.72
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.77
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.77
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.77
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.77
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.77
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.77
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.77
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.77
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.77
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.77
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.77
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.77
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.77
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.77
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.77
FHB	3-FLUORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCF	0.7
BP3	2'-CHLORO-BIPHENYL-2,3-DIOL	A	1LGT	0.74
ADL	(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID	A,B	1N5S	0.74
OAL	(1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID	B	1N5T	0.74
TOH	(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID	A	2IME	0.7
TOH	(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID	A	2IMD	0.7
GRE	2,6-DIHYDROXYBENZOIC ACID	A,B,C,D	2DVU	0.73
JUG	5-hydroxynaphthalene-1,4-dione	A,B,C,D,E,F	3B7J	0.79
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	H,I	1A2C	0.72
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C	1CA7	0.72
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C,D	3GGO	0.72
34D	3,5-DIHYDROXYBENZOATE	A,B	2BX7	0.72
HBA	P-HYDROXYBENZALDEHYDE	A	1K03	0.72
HBA	P-HYDROXYBENZALDEHYDE	A,B	2VQ5	0.72
HBA	P-HYDROXYBENZALDEHYDE	A,B	1EB9	0.72
HBA	P-HYDROXYBENZALDEHYDE	A	2GQ9	0.72
HBA	P-HYDROXYBENZALDEHYDE	A,B	1Z42	0.72
HBA	P-HYDROXYBENZALDEHYDE	A	1OYB	0.72
HSI	(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID	A	2Z2D	0.71
23A	2,3-DIHYDROXYBENZALDEHYDE	A,B,C,D	2DVX	0.75
PSN	BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4K	0.7
219	CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4I	0.71
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5U	0.78
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	3E6B	0.78
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5X	0.78
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	2H6B	0.78
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	C	3E6C	0.78
CPH	1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE	A,B	1D83	0.71
CPH	1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE	A,B	1EKH	0.71
CPH	1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE	A,B	1EKI	0.71
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	0.71
174	4-CHLORO-BENZOIC ACID	X	3DLP	0.74
174	4-CHLORO-BENZOIC ACID	X	1T5D	0.74
BP6	2',6'-DICHLORO-BIPHENYL-2,6-DIOL	A	1LKD	0.73
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.78
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.78
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	2BXE	0.75
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	3D2T	0.75
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
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.71
OAC	TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE	C	3GCH	0.72
P2N	(5Z)-13-CHLORO-14,16-DIHYDROXY- 3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE- 1,11(12H)-DIONE	A	2CGF	0.77
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
BHQ	2,5-DITERT-BUTYLBENZENE-1,4-DIOL	A,B	2AGV	0.71
IH5	[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID	A	1NAV	0.71
IH5	[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID	A	1NAX	0.71
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.75
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.75
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
RDC	RADICICOL	A,B	2Q8I	0.75
RDC	RADICICOL	A,B	1U0Z	0.75
RDC	RADICICOL	A	1BGQ	0.75
RDC	RADICICOL	B,D,F,H	2ZBK	0.75
RDC	RADICICOL	A	2HKJ	0.75
RDC	RADICICOL	A,B,C	3CGY	0.75
RDC	RADICICOL	A,B	2WER	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
4HP	4-HYDROXYPHENYLACETATE	A,B,C,D	2JBT	0.73
4HP	4-HYDROXYPHENYLACETATE	A	2YYJ	0.73
4HP	4-HYDROXYPHENYLACETATE	A	2YYM	0.73
4HP	4-HYDROXYPHENYLACETATE	B	1AI6	0.73
4HP	4-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCG	0.73
IHB	3-IODO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCI	0.7
2HC	(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID	A,B	1V5Z	0.71
299	2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4E	0.71
NP4	(5Z)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE	A	2IWS	0.77
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
FHI		A,B	1Y1D	0.72
G50	3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE	A,B	2UXI	0.75
34Z	3,4-dichlorobenzoate	X	2QVY	0.73
34Z	3,4-dichlorobenzoate	X	2QW0	0.73
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.77
AKV	{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE	A,B,C,D	2F99	0.71
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
3BZ	3-chlorobenzoate	X	2QVZ	0.76
3BZ	3-chlorobenzoate	X	2QVX	0.76
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.71
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.71
3HP	3-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCE	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	0.77
CHB	3-CHLORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCH	0.78
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
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.75
789	3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE	A,B	1ZAF	0.72
FE3	4-(2-aminoethyl)-3-chlorobenzoic acid	A,B	2K1Q	0.74
34C	(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID	A,B	1HT8	0.7
IPB	5-METHYL-2-(1-METHYLETHYL)PHENOL	A,B	1E06	0.71
OMD	2-(3,6-DIHYDROXYPHENYL)ACETIC ACID	A,B	1AJP	0.71
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.7
OHP	(2-HYDROXYPHENYL)ACETIC ACID	A	2INZ	0.73
SDN	[(3S)-9-hydroxy-1-methyl-10-oxo- 4,10-dihydro-3H-benzo[g]isochromen- 3-yl]acetic acid	A,B	3B6C	0.72
43M	4-CHLORO-3-METHYLPHENOL	A	2P7A	0.76
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5A	0.75
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5C	0.75
3CA		A,B	2B77	0.83
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.7
PCQ	3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL	A,B	1G3M	0.71
PCQ	3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL	A,B	2G5U	0.71
NP5	(5E)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE	A	2IWU	0.77
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.7
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.7
FLV	FLAVIOLIN	A	1ZDW	0.73
FLV	FLAVIOLIN	A	1T93	0.73
FLV	FLAVIOLIN	A	2D09	0.73
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
262	2-FORMYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4D	0.7