MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02339558

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	0.77
174	4-CHLORO-BENZOIC ACID	X	1T5D	0.77
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.71
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.71
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.71
DDC	7-HYDROXY-2-PHENYL-CHROMAN-4-ONE	A,B	1FM8	0.71
NGV	METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE	A,B,C,D	2F98	0.72
NGV	METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE	A	1SJW	0.72
23A	2,3-DIHYDROXYBENZALDEHYDE	A,B,C,D	2DVX	0.74
FLN	2-PHENYL-4H-CHROMEN-4-ONE	A	2G0L	0.74
156	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID	A	1FCZ	0.72
NE2	3,3',4',5-TETRACHLOROBIPHENYL-4- OL	A,B	2GAB	0.72
AGI	5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one	A,B,C,D,E,F	3CF9	0.71
GRE	2,6-DIHYDROXYBENZOIC ACID	A,B,C,D	2DVU	0.74
3HP	3-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCE	0.71
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
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.71
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.71
CHB	3-CHLORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCH	0.79
TOH	(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID	A	2IME	0.72
TOH	(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID	A	2IMD	0.72
AKV	{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE	A,B,C,D	2F99	0.72
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOD	0.73
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOE	0.73
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1PBB	0.73
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
3BZ	3-chlorobenzoate	X	2QVZ	0.78
3BZ	3-chlorobenzoate	X	2QVX	0.78
JUG	5-hydroxynaphthalene-1,4-dione	A,B,C,D,E,F	3B7J	0.79
FLV	FLAVIOLIN	A	1ZDW	0.71
FLV	FLAVIOLIN	A	1T93	0.71
FLV	FLAVIOLIN	A	2D09	0.71
AFI	2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]- 3,4-DIHYDROXY-1(2H)-NAPHTHALENONE	A,B	1UUM	0.8
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.78
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.78
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.78
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.78
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.78
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.78
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.78
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.78
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.78
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.78
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.78
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.78
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.78
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.78
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.78
OAC	TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE	C	3GCH	0.73
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	B,C	1JX1	0.71
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1JX0	0.71
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1FM7	0.71
PCQ	3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL	A,B	1G3M	0.75
PCQ	3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL	A,B	2G5U	0.75
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
4NA	1-CHLORO-6-(4-HYDROXYPHENYL)-2- NAPHTHOL	A,B	1YY4	0.7
PFL	2,6-BIS(1-METHYLETHYL)PHENOL	A,B	1E7A	0.71
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.83
TTB	4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID	A	1XAP	0.7
34C	(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID	A,B	1HT8	0.71
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RH4	0.76
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	3CSD	0.76
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHR	0.76
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	1F0Q	0.76
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3C13	0.76
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHC	0.76
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3BQC	0.76
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
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.71
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.71
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
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
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.74
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.74
G50	3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE	A,B	2UXI	0.81
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.73
P2N	(5Z)-13-CHLORO-14,16-DIHYDROXY- 3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE- 1,11(12H)-DIONE	A	2CGF	0.72
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A,B	3B56	0.75
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A	2BXL	0.75
ADL	(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID	A,B	1N5S	0.77
OAL	(1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID	B	1N5T	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	0.76
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.81
BJH	1(R)-1-ACETAMIDO-2-(3-CARBOXY-2- HYDROXYPHENYL)ETHYL BORONIC ACID	A	1ERQ	0.7
BP6	2',6'-DICHLORO-BIPHENYL-2,6-DIOL	A	1LKD	0.74
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B	2TPL	0.73
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B,C,D	3GGP	0.73
262	2-FORMYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4D	0.71
PSN	BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4K	0.75
NP4	(5Z)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE	A	2IWS	0.72
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3C3U	0.82
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3CV7	0.82
299	2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4E	0.74
A18	5-(2-CHLOROBENZYL)-2-FUROIC ACID	A	2Q96	0.7
4FC		A	1YSG	0.72
QSO	5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one	A,B	2QYO	0.72
3CA		A,B	2B77	0.87
PHB	P-HYDROXYBENZOIC ACID	A	1CJ4	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1DOB	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1PXB	0.73
PHB	P-HYDROXYBENZOIC ACID	A,B	1G1B	0.73
PHB	P-HYDROXYBENZOIC ACID	A,B	1YKJ	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1IUV	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1PBE	0.73
PHB	P-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCC	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1PDH	0.73
PHB	P-HYDROXYBENZOIC ACID	B	2BUW	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1CC4	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1CC6	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1IUW	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1FW9	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1G81	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1BGJ	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1IUX	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1CJ3	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1D7L	0.73
PHB	P-HYDROXYBENZOIC ACID	A	2PHH	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1BGN	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1PXA	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1DOC	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1K0I	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1BKW	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1JD3	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1PXC	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1TT8	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1CJ2	0.73
PHB	P-HYDROXYBENZOIC ACID	A,B	1Q4S	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1BF3	0.73
PHB	P-HYDROXYBENZOIC ACID	B	2BUR	0.73
HXS	4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol	A,B	3CV6	0.7
34Z	3,4-dichlorobenzoate	X	2QVY	0.75
34Z	3,4-dichlorobenzoate	X	2QW0	0.75
DES	DIETHYLSTILBESTROL	A,B,C,D	1S9P	0.71
DES	DIETHYLSTILBESTROL	A,B	3ERD	0.71
DES	DIETHYLSTILBESTROL	A,B	1TT6	0.71
DES	DIETHYLSTILBESTROL	A,B,C,D	1TZ8	0.71
FHB	3-FLUORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCF	0.71
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5A	0.78
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5C	0.78
A15	3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN- 1-ONE	A	1TSL	0.71
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5U	0.79
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	3E6B	0.79
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5X	0.79
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	2H6B	0.79
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	C	3E6C	0.79
NE1	2',3,3',4',5-PENTACHLOROBIPHENYL- 4-OL	A,B	2G9K	0.72
FBC		A,B	2B9A	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	0.72
FHI		A,B	1Y1D	0.78
2HC	(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID	A,B	1V5Z	0.72
789	3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE	A,B	1ZAF	0.75
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2E2R	0.7
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2P7G	0.7
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.72
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.72
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.72
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.72
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.72
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.72
2E3	(2E)-3-[4-hydroxy-3-(3,5,5,8,8- pentamethyl-5,6,7,8-tetrahydronaphthalen- 2-yl)phenyl]prop-2-enoic acid	A	3FUG	0.7
GEN	GENISTEIN	A	1QKM	0.72
GEN	GENISTEIN	A,B	1X7J	0.72
GEN	GENISTEIN	A,B	2QA8	0.72
GEN	GENISTEIN	A	1X7R	0.72
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZFK	0.71
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZFQ	0.71
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1Z9Y	0.71
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZH9	0.71
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZGE	0.71
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZGF	0.71
43M	4-CHLORO-3-METHYLPHENOL	A	2P7A	0.71
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	2BXE	0.8
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	3D2T	0.8
IH5	[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID	A	1NAV	0.72
IH5	[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID	A	1NAX	0.72
SDN	[(3S)-9-hydroxy-1-methyl-10-oxo- 4,10-dihydro-3H-benzo[g]isochromen- 3-yl]acetic acid	A,B	3B6C	0.72
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.79
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.79
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.74
HMO	4'-HYDROXY-7-METHOXYISOFLAVONE	A	1FP2	0.72
HSI	(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID	A	2Z2D	0.73
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3CMP	0.72
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MD9	0.72
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MDB	0.72
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	1L6M	0.72
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3BY0	0.72
BP3	2'-CHLORO-BIPHENYL-2,3-DIOL	A	1LGT	0.76
219	CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4I	0.73
SHA	SALICYLHYDROXAMIC ACID	X	1V0H	0.71
SHA	SALICYLHYDROXAMIC ACID	A	2QPK	0.71
SHA	SALICYLHYDROXAMIC ACID	A	3FNL	0.71
SHA	SALICYLHYDROXAMIC ACID	A	3GCJ	0.71
SHA	SALICYLHYDROXAMIC ACID	A	1CK6	0.71
LJ1	2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol	A,B	3CN0	0.72
SAK	(2S)-5-hydroxy-2-(4-hydroxyphenyl)- 7-methoxy-2,3-dihydro-4H-chromen- 4-one	A,B,C,D,E,F	3D04	0.7
FE3	4-(2-aminoethyl)-3-chlorobenzoic acid	A,B	2K1Q	0.73
NP5	(5E)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE	A	2IWU	0.72
26C		A,B	2F7I	0.72
IHB	3-IODO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCI	0.71
OHP	(2-HYDROXYPHENYL)ACETIC ACID	A	2INZ	0.74