MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00003249

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
FL8	6,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONE	B,C	1KGJ	0.71
AGI	5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one	A,B,C,D,E,F	3CF9	0.71
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.73
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.73
G12	3,8-DIBROMO-7-HYDROXY-4-METHYL- 2H-CHROMEN-2-ONE	A	2QC6	0.72
G50	3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE	A,B	2UXI	0.8
FL9		A,B	1THC	0.78
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	H,I	1A2C	0.7
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C	1CA7	0.7
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C,D	3GGO	0.7
SYR	SYRINGATE	A,B	1WB5	0.71
GRE	2,6-DIHYDROXYBENZOIC ACID	A,B,C,D	2DVU	0.85
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B	2TPL	0.7
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B,C,D	3GGP	0.7
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3C3U	0.72
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3CV7	0.72
2PB	2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE	A	1SDE	0.74
SN1	2,4-DIHYDROXY-TRANS CINNAMIC ACID	1	1K2I	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
OAC	TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE	C	3GCH	0.72
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.74
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.74
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.72
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.72
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.72
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.72
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1CJ4	0.81
PHB	P-HYDROXYBENZOIC ACID	A	1DOB	0.81
PHB	P-HYDROXYBENZOIC ACID	A	1PXB	0.81
PHB	P-HYDROXYBENZOIC ACID	A,B	1G1B	0.81
PHB	P-HYDROXYBENZOIC ACID	A,B	1YKJ	0.81
PHB	P-HYDROXYBENZOIC ACID	A	1IUV	0.81
PHB	P-HYDROXYBENZOIC ACID	A	1PBE	0.81
PHB	P-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCC	0.81
PHB	P-HYDROXYBENZOIC ACID	A	1PDH	0.81
PHB	P-HYDROXYBENZOIC ACID	B	2BUW	0.81
PHB	P-HYDROXYBENZOIC ACID	A	1CC4	0.81
PHB	P-HYDROXYBENZOIC ACID	A	1CC6	0.81
PHB	P-HYDROXYBENZOIC ACID	A	1IUW	0.81
PHB	P-HYDROXYBENZOIC ACID	A	1FW9	0.81
PHB	P-HYDROXYBENZOIC ACID	A	1G81	0.81
PHB	P-HYDROXYBENZOIC ACID	A	1BGJ	0.81
PHB	P-HYDROXYBENZOIC ACID	A	1IUX	0.81
PHB	P-HYDROXYBENZOIC ACID	A	1CJ3	0.81
PHB	P-HYDROXYBENZOIC ACID	A	1D7L	0.81
PHB	P-HYDROXYBENZOIC ACID	A	2PHH	0.81
PHB	P-HYDROXYBENZOIC ACID	A	1BGN	0.81
PHB	P-HYDROXYBENZOIC ACID	A	1PXA	0.81
PHB	P-HYDROXYBENZOIC ACID	A	1DOC	0.81
PHB	P-HYDROXYBENZOIC ACID	A	1K0I	0.81
PHB	P-HYDROXYBENZOIC ACID	A	1BKW	0.81
PHB	P-HYDROXYBENZOIC ACID	A	1JD3	0.81
PHB	P-HYDROXYBENZOIC ACID	A	1PXC	0.81
PHB	P-HYDROXYBENZOIC ACID	A	1TT8	0.81
PHB	P-HYDROXYBENZOIC ACID	A	1CJ2	0.81
PHB	P-HYDROXYBENZOIC ACID	A,B	1Q4S	0.81
PHB	P-HYDROXYBENZOIC ACID	A	1BF3	0.81
PHB	P-HYDROXYBENZOIC ACID	B	2BUR	0.81
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.75
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.75
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.81
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
OMD	2-(3,6-DIHYDROXYPHENYL)ACETIC ACID	A,B	1AJP	0.72
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
23A	2,3-DIHYDROXYBENZALDEHYDE	A,B,C,D	2DVX	0.7
OHP	(2-HYDROXYPHENYL)ACETIC ACID	A	2INZ	0.7
FHI		A,B	1Y1D	0.72
FLV	FLAVIOLIN	A	1ZDW	0.77
FLV	FLAVIOLIN	A	1T93	0.77
FLV	FLAVIOLIN	A	2D09	0.77
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.72
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RH4	0.73
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	3CSD	0.73
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHR	0.73
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	1F0Q	0.73
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3C13	0.73
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHC	0.73
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3BQC	0.73
4HP	4-HYDROXYPHENYLACETATE	A,B,C,D	2JBT	0.71
4HP	4-HYDROXYPHENYLACETATE	A	2YYJ	0.71
4HP	4-HYDROXYPHENYLACETATE	A	2YYM	0.71
4HP	4-HYDROXYPHENYLACETATE	B	1AI6	0.71
4HP	4-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCG	0.71
QSO	5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one	A,B	2QYO	0.7
FRR	(3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY- 14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO- 1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)- DIONE	A	2E14	0.71
DHB	3,4-DIHYDROXYBENZOIC ACID	B	2BV0	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	A,B,D,F,H,J,L	1YKP	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	A	1N8Q	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	A,B	2BSL	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D,F,H,J,L	1YKL	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D	1B4U	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	A	3DX5	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCA	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D,F,H,J,L	1YKN	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	B	1EOB	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	A	1PHH	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	B	2BUV	0.76
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A,B	3B56	0.79
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A	2BXL	0.79
FHB	3-FLUORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCF	0.79
3HP	3-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCE	0.73
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5A	0.73
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5C	0.73
IHB	3-IODO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCI	0.79
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.82
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.82
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.82
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.82
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.82
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.82
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.82
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.82
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.82
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.82
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.82
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.82
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.82
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.82
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.82
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
34D	3,5-DIHYDROXYBENZOATE	A,B	2BX7	0.8
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	0.72
HMO	4'-HYDROXY-7-METHOXYISOFLAVONE	A	1FP2	0.7
CHB	3-CHLORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCH	0.73
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOD	0.88
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOE	0.88
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1PBB	0.88
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3CMP	0.77
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MD9	0.77
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MDB	0.77
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	1L6M	0.77
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3BY0	0.77
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	M,N,O,P,Q,R	3PCN	0.71
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	B	1AI4	0.71
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	A,B,C,D	1Q0C	0.71
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	A,B	1F1V	0.71