MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02553235

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
VII	2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID	A,B	2GFK	0.75
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
FU2	FURFURAL	A,B,C,D	1QXD	0.8
QSO	5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one	A,B	2QYO	0.71
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.75
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.75
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.75
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.75
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.75
FC2	5-(2,5-DICHLOROPHENYL)-2-FUROIC ACID	A	2EVM	0.77
HBA	P-HYDROXYBENZALDEHYDE	A	1K03	0.72
HBA	P-HYDROXYBENZALDEHYDE	A,B	2VQ5	0.72
HBA	P-HYDROXYBENZALDEHYDE	A,B	1EB9	0.72
HBA	P-HYDROXYBENZALDEHYDE	A	2GQ9	0.72
HBA	P-HYDROXYBENZALDEHYDE	A,B	1Z42	0.72
HBA	P-HYDROXYBENZALDEHYDE	A	1OYB	0.72
397	2-(4-HYDROXY-PHENYL)BENZOFURAN- 5-OL	A,B	1U9E	0.76
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
DBA	(2,6-DIMETHYL-PHENOXY)-ACETIC ACID	A,B	1IDB	0.71
BGF	2,5-BIS(4-GUANYLPHENYL)FURAN	A	227D	0.73
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.71
A04	5-[2-(TRIFLUOROMETHOXY)PHENYL]- 2-FUROIC ACID	A	2Q94	0.79
C95	4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN- 5-YLIDENE)METHYL]FURAN-2-YL}BENZOIC ACID	A,C	2UZE	0.7
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.7
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.7
NRO	3-[5-(2-nitropent-1-en-1-yl)furan- 2-yl]benzoic acid	A,B	2ZK5	0.74
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.72
FLN	2-PHENYL-4H-CHROMEN-4-ONE	A	2G0L	0.77
BHF	2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE	A	2HI4	0.73
FOA	2-FUROIC ACID	A,B	2GF3	0.72
FOA	2-FUROIC ACID	A,B,D	2GAG	0.72
FOA	2-FUROIC ACID	A,B,C,D	2GAH	0.72
A18	5-(2-CHLOROBENZYL)-2-FUROIC ACID	A	2Q96	0.8
HMO	4'-HYDROXY-7-METHOXYISOFLAVONE	A	1FP2	0.71
YRG	(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid	A	3CDP	0.71
BZF	BENZOFURAN	A	182L	0.83
SAK	(2S)-5-hydroxy-2-(4-hydroxyphenyl)- 7-methoxy-2,3-dihydro-4H-chromen- 4-one	A,B,C,D,E,F	3D04	0.71
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A	2Z9C	0.73
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A,B	1OOQ	0.73
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A,B,C,D,E,F, G,H	2F1O	0.73
C62	4-{5-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN- 5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE	A	2UZO	0.7
TOM	4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID	A	2IMF	0.71
FC3	5-[2-(TRIFLUOROMETHYL)PHENYL]-2- FUROIC ACID	A	2EVC	0.82
NAR	NARINGENIN	A,B	2UXU	0.72
NAR	NARINGENIN	A	2BRT	0.72
NAR	NARINGENIN	A	1CGK	0.72
NAR	NARINGENIN	A,B	1EYQ	0.72
AGI	5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one	A,B,C,D,E,F	3CF9	0.7
B21	5-(2-METHOXYPHENYL)-2-FUROIC ACID	A	2Q93	0.82
B29	[2-(3-DIBENZOFURAN-4-YL-PHENYL)- 1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID	A,B	2E98	0.71
B29	[2-(3-DIBENZOFURAN-4-YL-PHENYL)- 1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID	A,B	2E93	0.71
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.72
697	5-HYDROXY-2-(4-HYDROXYPHENYL)-1- BENZOFURAN-7-CARBONITRILE	A,B	1X76	0.72
LRG	(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid	A	3B3K	0.74
LRG	(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid	A	3D6D	0.74
GRR	(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid	A	3CDS	0.74
FUX	5-HYDROXYMETHYL-FURFURAL	A,B,C,D	1QXE	0.77
ZZ1	4-METHYL-2H-CHROMEN-2-ONE	A	2CIP	0.7
SB8	2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE	A	2AIA	0.74
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.73
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.73
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.73
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.73
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.73
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.73
300	2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE	A	1O41	0.72
L41	{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid	A,B	3D5F	0.71
2HI	(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)- 2,3-DIHYDRO-4H-CHROMEN-4-ONE	A	1ZG3	0.7
DDC	7-HYDROXY-2-PHENYL-CHROMAN-4-ONE	A,B	1FM8	0.73
EAA	ETHACRYNIC ACID	A,B	3DGQ	0.7
EAA	ETHACRYNIC ACID	A,B	11GS	0.7
EAA	ETHACRYNIC ACID	A,B,C,D	1GSF	0.7
EAA	ETHACRYNIC ACID	A,B	2GSS	0.7
EAA	ETHACRYNIC ACID	A,B	3GSS	0.7
EAA	ETHACRYNIC ACID	A,B	1GSE	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
YE6	5-(2-chlorophenyl)furan-2-carbohydrazide	A	2P9A	0.73
YE6	5-(2-chlorophenyl)furan-2-carbohydrazide	A	2P99	0.73
DBF	DIBENZOFURAN-4,6-DICARBOXYLIC ACID	B	1DVU	0.72
V55	4-hydroxy-3-methoxybenzaldehyde	B,D,E,F	2VSS	0.75
V55	4-hydroxy-3-methoxybenzaldehyde	A,B,D,E,F	2VSU	0.75
244	[5-HYDROXY-2-(4-HYDROXYPHENYL)- 1-BENZOFURAN-7-YL]ACETONITRILE	A,B	1X78	0.72
244	[5-HYDROXY-2-(4-HYDROXYPHENYL)- 1-BENZOFURAN-7-YL]ACETONITRILE	A,B	1X7E	0.72
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	B,C	1JX1	0.73
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1JX0	0.73
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1FM7	0.73
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	0.7
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.74
8MO	METHOXSALEN	A,B,C,D	1Z11	0.74
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.78
FCD	5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID	A	1XNZ	0.79
CA2	(1S,3R,4R,5S)-1,3,4-TRIHYDROXY- 5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	2BT4	0.7