MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00043539

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
DDC	7-HYDROXY-2-PHENYL-CHROMAN-4-ONE	A,B	1FM8	0.71
FCD	5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID	A	1XNZ	0.73
C17	7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H- CHROMENE-4-CARBALDEHYDE	A,B	2V60	0.74
BZF	BENZOFURAN	A	182L	0.71
TN3	3-CHLORO-4-(4-CHLORO-2-HYDROXYPHENOXY)- N-METHYLBENZAMIDE	A,B	1ZXB	0.75
A15	3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN- 1-ONE	A	1TSL	0.72
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
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.73
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.73
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.73
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.73
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.73
JPA	4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL- 3-OL	A,B	2FOI	0.74
KMP	3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A,B,C,D	1H1M	0.71
KMP	3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	2C1Z	0.71
JPM	5-benzyl-2-(2,4-dichlorophenoxy)phenol	A,B,C,D	3FNF	0.74
34C	(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID	A,B	1HT8	0.82
IH5	[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID	A	1NAV	0.79
IH5	[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID	A	1NAX	0.79
FC2	5-(2,5-DICHLOROPHENYL)-2-FUROIC ACID	A	2EVM	0.73
EAA	ETHACRYNIC ACID	A,B	3DGQ	0.81
EAA	ETHACRYNIC ACID	A,B	11GS	0.81
EAA	ETHACRYNIC ACID	A,B,C,D	1GSF	0.81
EAA	ETHACRYNIC ACID	A,B	2GSS	0.81
EAA	ETHACRYNIC ACID	A,B	3GSS	0.81
EAA	ETHACRYNIC ACID	A,B	1GSE	0.81
YRG	(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid	A	3CDP	0.76
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
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
L1O	4-(2-aminoethoxy)-3,5-dichlorobenzoic acid	A	2VIO	0.77
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3C3U	0.7
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3CV7	0.7
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.72
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.72
FLN	2-PHENYL-4H-CHROMEN-4-ONE	A	2G0L	0.78
SC4	1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]- 4-[2,6-DICHLORO-PHENYL-OXYMETHYL]- BENZENE	1,4	1EAH	0.76
SC4	1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]- 4-[2,6-DICHLORO-PHENYL-OXYMETHYL]- BENZENE	1,4	3EPF	0.76
3CA		A,B	2B77	0.71
TCL	TRICLOSAN	A,B,C,D	2PD3	0.7
TCL	TRICLOSAN	A,B	1P45	0.7
TCL	TRICLOSAN	A,B,C,D,E,F	2B35	0.7
TCL	TRICLOSAN	A,B	1D8A	0.7
TCL	TRICLOSAN	A,B	1C14	0.7
TCL	TRICLOSAN	A,B,C,D	2QIO	0.7
TCL	TRICLOSAN	A,B	1NHG	0.7
TCL	TRICLOSAN	A	1D7O	0.7
TCL	TRICLOSAN	A,B,C,D	2O2Y	0.7
TCL	TRICLOSAN	A,B	1UH5	0.7
TCL	TRICLOSAN	A,B	2O2S	0.7
TCL	TRICLOSAN	A,B,C,D	1QG6	0.7
TCL	TRICLOSAN	A,B,C,D,E,F, G,H	1QSG	0.7
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.72
TF3	N-(2-AMINOETHYL)-2-{3-CHLORO-4- [(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE	A	2BU7	0.71
D1L	2-[4-(2,4-DICHLOROPHENOXY)PHENOXY]PROPANOIC ACID	A,B	1UYR	0.71
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A	2Z9C	0.71
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A,B	1OOQ	0.71
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A,B,C,D,E,F, G,H	2F1O	0.71
JPL	5-(cyclohexa-1,5-dien-1-ylmethyl)- 2-(2,4-dichlorophenoxy)phenol	A	3FNG	0.74
AGI	5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one	A,B,C,D,E,F	3CF9	0.72
NAR	NARINGENIN	A,B	2UXU	0.7
NAR	NARINGENIN	A	2BRT	0.7
NAR	NARINGENIN	A	1CGK	0.7
NAR	NARINGENIN	A,B	1EYQ	0.7
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5U	0.71
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	3E6B	0.71
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5X	0.71
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	2H6B	0.71
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	C	3E6C	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PIT	0.7
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ1	0.7
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PIU	0.7
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PKL	0.7
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A,B	3D57	0.7
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ2	0.7
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2QPY	0.7
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ0	0.7
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NUO	0.7
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A,B	2PIN	0.7
CHB	3-CHLORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCH	0.74
A18	5-(2-CHLOROBENZYL)-2-FUROIC ACID	A	2Q96	0.75
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.72
JPN	2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOL	A,B	2OL4	0.73
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
JPJ	2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOL	A,B	2OOS	0.73
JPJ	2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOL	A	3FNH	0.73
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.73