MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03360105

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
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5U	0.77
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	3E6B	0.77
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5X	0.77
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	2H6B	0.77
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	C	3E6C	0.77
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
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	2BXE	0.78
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	3D2T	0.78
ADL	(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID	A,B	1N5S	0.75
OAL	(1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID	B	1N5T	0.75
M1S	(5E)-14-CHLORO-15,17-DIHYDROXY- 4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE- 1,12(3H,13H)-DIONE	A	2IWX	0.71
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5A	0.76
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5C	0.76
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.72
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.72
BP3	2'-CHLORO-BIPHENYL-2,3-DIOL	A	1LGT	0.74
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	0.7
RDC	RADICICOL	A,B	2Q8I	0.7
RDC	RADICICOL	A,B	1U0Z	0.7
RDC	RADICICOL	A	1BGQ	0.7
RDC	RADICICOL	B,D,F,H	2ZBK	0.7
RDC	RADICICOL	A	2HKJ	0.7
RDC	RADICICOL	A,B,C	3CGY	0.7
RDC	RADICICOL	A,B	2WER	0.7
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.7
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.7
AFI	2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]- 3,4-DIHYDROXY-1(2H)-NAPHTHALENONE	A,B	1UUM	0.8
QSO	5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one	A,B	2QYO	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	0.7
FHI		A,B	1Y1D	0.76
FE3	4-(2-aminoethyl)-3-chlorobenzoic acid	A,B	2K1Q	0.71
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.81
NGV	METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE	A,B,C,D	2F98	0.7
NGV	METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE	A	1SJW	0.7
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
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.78
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.78
FLN	2-PHENYL-4H-CHROMEN-4-ONE	A	2G0L	0.72
23A	2,3-DIHYDROXYBENZALDEHYDE	A,B,C,D	2DVX	0.72
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
GRE	2,6-DIHYDROXYBENZOIC ACID	A,B,C,D	2DVU	0.72
NP5	(5E)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE	A	2IWU	0.71
LJ1	2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol	A,B	3CN0	0.71
34Z	3,4-dichlorobenzoate	X	2QVY	0.76
34Z	3,4-dichlorobenzoate	X	2QW0	0.76
HMO	4'-HYDROXY-7-METHOXYISOFLAVONE	A	1FP2	0.71
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.79
G50	3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE	A,B	2UXI	0.79
PSN	BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4K	0.73
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
NE2	3,3',4',5-TETRACHLOROBIPHENYL-4- OL	A,B	2GAB	0.73
BP6	2',6'-DICHLORO-BIPHENYL-2,6-DIOL	A	1LKD	0.74
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
GEN	GENISTEIN	A	1QKM	0.71
GEN	GENISTEIN	A,B	1X7J	0.71
GEN	GENISTEIN	A,B	2QA8	0.71
GEN	GENISTEIN	A	1X7R	0.71
219	CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4I	0.72
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.71
HBA	P-HYDROXYBENZALDEHYDE	A	1K03	0.71
HBA	P-HYDROXYBENZALDEHYDE	A,B	2VQ5	0.71
HBA	P-HYDROXYBENZALDEHYDE	A,B	1EB9	0.71
HBA	P-HYDROXYBENZALDEHYDE	A	2GQ9	0.71
HBA	P-HYDROXYBENZALDEHYDE	A,B	1Z42	0.71
HBA	P-HYDROXYBENZALDEHYDE	A	1OYB	0.71
CHB	3-CHLORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCH	0.77
A15	3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN- 1-ONE	A	1TSL	0.71
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	0.74
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3C3U	0.83
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3CV7	0.83
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
3CA		A,B	2B77	0.88
3BZ	3-chlorobenzoate	X	2QVZ	0.76
3BZ	3-chlorobenzoate	X	2QVX	0.76
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.76
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.76
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.76
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.76
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.76
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.76
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.76
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.76
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.76
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.76
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.76
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.76
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.76
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.76
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.76
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
4FC		A	1YSG	0.7
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B	2TPL	0.71
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B,C,D	3GGP	0.71
JUG	5-hydroxynaphthalene-1,4-dione	A,B,C,D,E,F	3B7J	0.77
174	4-CHLORO-BENZOIC ACID	X	3DLP	0.76
174	4-CHLORO-BENZOIC ACID	X	1T5D	0.76
OHP	(2-HYDROXYPHENYL)ACETIC ACID	A	2INZ	0.72
NP4	(5Z)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE	A	2IWS	0.71
299	2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4E	0.72
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.73
NE1	2',3,3',4',5-PENTACHLOROBIPHENYL- 4-OL	A,B	2G9K	0.73
43M	4-CHLORO-3-METHYLPHENOL	A	2P7A	0.71
789	3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE	A,B	1ZAF	0.73
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
HSI	(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID	A	2Z2D	0.73
OAC	TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE	C	3GCH	0.71
P2N	(5Z)-13-CHLORO-14,16-DIHYDROXY- 3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE- 1,11(12H)-DIONE	A	2CGF	0.71
SDN	[(3S)-9-hydroxy-1-methyl-10-oxo- 4,10-dihydro-3H-benzo[g]isochromen- 3-yl]acetic acid	A,B	3B6C	0.7
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.7
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.7
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.7
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.7
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.7
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.7
2HC	(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID	A,B	1V5Z	0.7