MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01822313

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
2PB	2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE	A	1SDE	0.72
OHP	(2-HYDROXYPHENYL)ACETIC ACID	A	2INZ	0.71
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.77
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.77
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.72
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.72
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
VXX	VANILLATE	A,B	1WB6	0.72
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.74
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.74
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.74
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.74
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.74
4HP	4-HYDROXYPHENYLACETATE	A,B,C,D	2JBT	0.7
4HP	4-HYDROXYPHENYLACETATE	A	2YYJ	0.7
4HP	4-HYDROXYPHENYLACETATE	A	2YYM	0.7
4HP	4-HYDROXYPHENYLACETATE	B	1AI6	0.7
4HP	4-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCG	0.7
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
QSO	5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one	A,B	2QYO	0.71
SYR	SYRINGATE	A,B	1WB5	0.71
YZ9	7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTER	A,B,C	1GCZ	0.71
G12	3,8-DIBROMO-7-HYDROXY-4-METHYL- 2H-CHROMEN-2-ONE	A	2QC6	0.7
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOD	0.75
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOE	0.75
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1PBB	0.75
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.8
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.8
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.8
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.8
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.8
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.8
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
23A	2,3-DIHYDROXYBENZALDEHYDE	A,B,C,D	2DVX	0.72
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.7
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.7
G50	3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE	A,B	2UXI	0.71
U01	3-[1-(4-BROMO-PHENYL)-2-METHYL- PROPYL]-4-HYDROXY-CHROMEN-2-ONE	A	1UPJ	0.73
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.71
GRR	(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid	A	3CDS	0.71
TOM	4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID	A	2IMF	0.73
B21	5-(2-METHOXYPHENYL)-2-FUROIC ACID	A	2Q93	0.77
HMO	4'-HYDROXY-7-METHOXYISOFLAVONE	A	1FP2	0.71
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	2BXE	0.73
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	3D2T	0.73
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
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
MPP	3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID	A,B	2AY3	0.7
HMY	(1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy- 3-methoxy-8-methyl-8,9,13,14,15,15a- hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine- 6,12(1aH)-dione	A,B	3C9W	0.73
VNL	4-HYDROXY-3-METHOXYBENZOATE	A,B,C,D	2AHC	0.72
VNL	4-HYDROXY-3-METHOXYBENZOATE	A	1XLR	0.72
509	4-BROMO-3-(CARBOXYMETHOXY)-5-PHENYLTHIOPHENE- 2-CARBOXYLIC ACID	A	2H4K	0.78
300	2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE	A	1O41	0.71
OFF	2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]- L-THREO-PENTARIC ACID	A	2OFF	0.74
HHH	(2S)-hydroxy(4-hydroxyphenyl)ethanoic acid	A,B	2R5V	0.72
34D	3,5-DIHYDROXYBENZOATE	A,B	2BX7	0.71
HZ3	dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)- 7-oxabicyclo[2.2.1]hepta-2,5-diene- 2,3-dicarboxylate	A,B	2QR9	0.72
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.79
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.79
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.79
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.79
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.79
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.79
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.79
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.79
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.79
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.79
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.79
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.79
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.79
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.79
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.79
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.74
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3CMP	0.75
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MD9	0.75
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MDB	0.75
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	1L6M	0.75
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3BY0	0.75
FL9		A,B	1THC	0.76
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.7
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5A	0.72
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5C	0.72
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	B,C	1JX1	0.7
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1JX0	0.7
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1FM7	0.7
A04	5-[2-(TRIFLUOROMETHOXY)PHENYL]- 2-FUROIC ACID	A	2Q94	0.73
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	0.76
KMP	3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A,B,C,D	1H1M	0.7
KMP	3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	2C1Z	0.7
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.72
L41	{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid	A,B	3D5F	0.76
FL8	6,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONE	B,C	1KGJ	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
NOM	7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO- 1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE- 2,6,11-TRIONE	A	1N5V	0.73
NCZ	2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE- 1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY- CYCLOPENT-3-ENYL ESTER	A	1J5I	0.71
GEN	GENISTEIN	A	1QKM	0.7
GEN	GENISTEIN	A,B	1X7J	0.7
GEN	GENISTEIN	A,B	2QA8	0.7
GEN	GENISTEIN	A	1X7R	0.7
GRE	2,6-DIHYDROXYBENZOIC ACID	A,B,C,D	2DVU	0.76
MGI	methyl 4-(2,3-dihydroxy-5-methylphenoxy)- 2-hydroxy-6-methylbenzoate	A	2ZA0	0.7
OEF	3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACID	A	2J4A	0.72
694	4-BROMO-3-(CARBOXYMETHOXY)-5-(4- HYDROXYPHENYL)THIOPHENE-2-CARBOXYLIC ACID	A	2H4G	0.79