MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00048325

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
L1O	4-(2-aminoethoxy)-3,5-dichlorobenzoic acid	A	2VIO	0.73
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A	2Z9C	0.72
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A,B	1OOQ	0.72
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A,B,C,D,E,F, G,H	2F1O	0.72
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
34C	(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID	A,B	1HT8	0.8
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.76
CHB	3-CHLORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCH	0.71
ZZ1	4-METHYL-2H-CHROMEN-2-ONE	A	2CIP	0.71
SC4	1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]- 4-[2,6-DICHLORO-PHENYL-OXYMETHYL]- BENZENE	1,4	1EAH	0.72
SC4	1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]- 4-[2,6-DICHLORO-PHENYL-OXYMETHYL]- BENZENE	1,4	3EPF	0.72
397	2-(4-HYDROXY-PHENYL)BENZOFURAN- 5-OL	A,B	1U9E	0.71
PFI	(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO- 4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY- 5,6-DIHYDRO-2H-PYRAN-2-ONE	A	2HAI	0.7
2HI	(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)- 2,3-DIHYDRO-4H-CHROMEN-4-ONE	A	1ZG3	0.71
FC2	5-(2,5-DICHLOROPHENYL)-2-FUROIC ACID	A	2EVM	0.74
EAA	ETHACRYNIC ACID	A,B	3DGQ	0.79
EAA	ETHACRYNIC ACID	A,B	11GS	0.79
EAA	ETHACRYNIC ACID	A,B,C,D	1GSF	0.79
EAA	ETHACRYNIC ACID	A,B	2GSS	0.79
EAA	ETHACRYNIC ACID	A,B	3GSS	0.79
EAA	ETHACRYNIC ACID	A,B	1GSE	0.79
C17	7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H- CHROMENE-4-CARBALDEHYDE	A,B	2V60	0.78
YRG	(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid	A	3CDP	0.79
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.72
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.72
KMP	3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A,B,C,D	1H1M	0.72
KMP	3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	2C1Z	0.72
GRR	(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid	A	3CDS	0.73
A18	5-(2-CHLOROBENZYL)-2-FUROIC ACID	A	2Q96	0.78
HMO	4'-HYDROXY-7-METHOXYISOFLAVONE	A	1FP2	0.73
3CA		A,B	2B77	0.71
SAK	(2S)-5-hydroxy-2-(4-hydroxyphenyl)- 7-methoxy-2,3-dihydro-4H-chromen- 4-one	A,B,C,D,E,F	3D04	0.74
BHF	2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE	A	2HI4	0.71
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.75
V55	4-hydroxy-3-methoxybenzaldehyde	B,D,E,F	2VSS	0.72
V55	4-hydroxy-3-methoxybenzaldehyde	A,B,D,E,F	2VSU	0.72
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	0.73
T4A		C,D	1KGI	0.7
T4A		A,B	1Z7J	0.7
IH5	[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID	A	1NAV	0.73
IH5	[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID	A	1NAX	0.73
ORE	4-(2,7-DIFLUORO-6-HYDROXY-3-OXO- 3H-XANTHEN-9-YL)ISOPHTHALIC ACID	H,I	2A9N	0.7
R88	(4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT- 2-ENYL}OXY)PHENYL]METHANONE	A,B,C	1H36	0.73
BZF	BENZOFURAN	A	182L	0.75
DDC	7-HYDROXY-2-PHENYL-CHROMAN-4-ONE	A,B	1FM8	0.75
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	B,C	1JX1	0.74
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1JX0	0.74
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1FM7	0.74
L41	{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid	A,B	3D5F	0.71
NAR	NARINGENIN	A,B	2UXU	0.74
NAR	NARINGENIN	A	2BRT	0.74
NAR	NARINGENIN	A	1CGK	0.74
NAR	NARINGENIN	A,B	1EYQ	0.74
FCD	5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID	A	1XNZ	0.76
R71	[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE	A	1W6J	0.76
R71	[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE	A,B,C	1GSZ	0.76
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
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
FLN	2-PHENYL-4H-CHROMEN-4-ONE	A	2G0L	0.79
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.74
AGI	5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one	A,B,C,D,E,F	3CF9	0.73
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.76
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.76
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.76
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.76
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.76
TF5	2-[(2',3',4'-TRIFLUOROBIPHENYL- 2-YL)OXY]ETHANOL	A,B	2OP3	0.71
QSO	5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one	A,B	2QYO	0.73
SB8	2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE	A	2AIA	0.72
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PIT	0.72
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ1	0.72
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PIU	0.72
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PKL	0.72
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A,B	3D57	0.72
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ2	0.72
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2QPY	0.72
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ0	0.72
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NUO	0.72
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A,B	2PIN	0.72